490	486	952	0:SP3_SP3_SP3	C	C[3]	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C[3]-4:S-4:F-1:F-1:	N[3]-3:C[3]-4:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	S(C[6a]C[6a]2)(CC[3]FF)(O)2	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	S(C[6a]C[6a]2)(CC[3]FF)(O)2	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	112.2382	1.405	6	112.2382	1.405	6
490	486	952	0:SP3_SP3_SP3	C	C[3]	S	4:4:1:1:	4:2:4:1:	3:4:1:1:	C[3]-4:S-4:H-1:H-1:	C[3]-4:S[3]-2:C-4:H-1:	C[6a]-3:C-4:O-1:O-1:	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S(C[6a]C[6a]2)(CC[3]HH)(O)2	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	S(C[6a]C[6a]2)(CC[3]HH)(O)2	112.0974	1.268	5	112.0974	1.607	5	112.0974	1.607	5	112.0974	1.607	5	112.2382	1.405	6	112.2382	1.405	6
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]HN)(H)	N(CC[6a]C[3]H)(COO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]HN)(H)	N(CC[6a]C[3]H)(COO)(H)	108.6435	0.445	2	108.6435	0.198	2	108.5013	0.160	3	108.5013	0.160	3	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	3:4:3:1:	4:4:4:1:	4:3:1:	C[6a]-3:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HN)(H)	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HN)(H)	N(CC[6a]C[3]H)(CC[6a]O)(H)	108.2170	0.000	1	108.2170	0.000	1	108.5013	0.160	3	108.5013	0.160	3	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	3:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[5a]-3:S-4:C-4:	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CC[3]HH)	111.2110	0.000	1	111.2110	0.000	1	111.2110	0.000	1	112.6977	1.055	4	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	3:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:S-4:C-4:	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	113.1933	0.329	3	113.1933	0.109	3	113.1933	0.109	3	112.6977	1.055	4	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	4:4:3:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	S-4:C-4:C-3:	C(C[3]C[3]O[3]H)(NCS)(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(CCO)	C(C[3]C[3]O[3]H)(NCS)(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(CCO)	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:2:4:2:	3:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:C-2:	C[6a]-3:C-4:C-4:	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]HH)	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	114.7100	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:3:4:1:	3:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N(C[6a]C[6a]2)(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N(C[6a]C[6a]2)(CC[3]HH)(H)	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	113.3990	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:3:4:1:	4:3:3:	C[3]-4:N-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C-4:C-3:C-3:	C(C[3]C[3]N[3]H)(NCC)(H)2	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	N(CC[3]HH)(CC[5a]O)(COO)	C(C[3]C[3]N[3]H)(NCC)(H)2	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	N(CC[3]HH)(CC[5a]O)(COO)	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	3:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C-4:H-1:	C(C[3]C[3]2H)(NC[6a]H)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6a]N[6a]2)(CC[3]HH)(H)	C(C[3]C[3]2H)(NC[6a]H)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6a]N[6a]2)(CC[3]HH)(H)	109.9165	0.474	2	109.9165	0.225	2	109.9165	0.225	2	109.9165	0.225	2	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	3:4:3:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C-4:C-3:	C(C[3]C[3]2H)(NC[6a]C)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[3]C[3]2H)(NC[6a]C)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:3:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-3:H-1:	C(C[3]C[3]2H)(NCH)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H)	N(CC[3]HH)(CCO)(H)	C(C[3]C[3]2H)(NCH)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H){2|C<3>}	N(CC[3]HH)(CCO)(H)	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:S-4:C-4:	C(C[3]C[3]2H)(NCS)(H)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHN)(H)	N(CC[6a]CH)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]2H)(NCS)(H)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHN)(H)	N(CC[6a]CH)(SC[6a]OO)(CC[3]HH)	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:3:1:	4:4:2:1:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:C-4:O[3]-2:H-1:	C-4:C-4:H-1:	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	N(CC[6a]C[3]H)(CC3)(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	N(CC[6a]C[3]H)(CC3)(H)	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:3:3:1:	4:4:4:1:	4:3:1:	C[3]-4:C-3:N-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-3:H-1:	C(C[3]C[3]2H)(COO)(NCH)(H)	C[3](C[3]C[3]CH)2(CCHN)(H)	N(CC[3]CH)(COO)(H)	C(C[3]C[3]2H)(COO)(NCH)(H)	C[3](C[3]C[3]CH)2(CCHN)(H)	N(CC[3]CH)(COO)(H)	109.4300	1.263	4	109.4300	1.596	4	109.4300	1.596	4	109.4300	1.596	4	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:4:3:1:	4:2:4:1:	4:3:1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C-4:C-3:H-1:	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	N(CC[3]CH)(COO)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	N(CC[3]CH)(COO)(H)	108.9470	1.113	2	108.9470	1.239	2	108.9470	1.239	2	108.9470	1.239	2	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:4:3:1:	4:3:4:1:	4:4:1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N(SC[6a]OO)(CC[3]CH)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N(SC[6a]OO)(CC[3]CH)(H)	108.6790	0.424	2	108.6790	0.180	2	108.6790	0.180	2	108.6790	0.180	2	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:4:3:1:	4:4:4:1:	3:4:1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[5]-3:C-4:H-1:	C(C[3]C[3]2H)2(NC[5]H)(H)	C[3](C[3]C[3]HH)2(CC[3]HN)(H)	N(C[5]N[5]O[5])(CC[3]2H)(H)	C(C[3]C[3]2H)2(NC[5]H)(H)	C[3](C[3]C[3]HH)2(CC[3]HN)(H)	N(C[5]N[5]O[5])(CC[3]2H)(H)	110.7510	3.149	2	110.7510	9.919	2	110.7510	9.919	2	110.7510	9.919	2	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP2_SP3	C	C[3]	N	4:4:3:1:	4:4:4:3:	4:1:1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:C[3]-4:C-4:N-3:	C-4:O-1:O-1:	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C[3](C[3]C[3]HH)2(CCHN)(NOO)	N(CC[3]CH)(O)2	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	C[3](C[3]C[3]HH)2(CCHN)(NOO)	N(CC[3]CH)(O)2	110.0330	0.802	2	110.0330	0.643	2	110.0330	0.643	2	110.0330	0.643	2	110.8008	5.508	29	110.8008	5.508	29
490	486	956	0:SP3_SP3_SP3	C	C[3,5,5]	N	4:3:1:1:	4:4:2:4:	4:4:1:	C[3,5,5]-4:N-3:H-1:H-1:	C[3,5,5,6]-4:C[3,5,5,6]-4:O[5,5]-2:C-4:	C-4:S-4:H-1:	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN)	N(CC[3,5,5]HH)(SC[6a]OO)(H)	C(C[3,5,5]C[3,5,5,6]2O[5,5])(NHS)(H)2	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN){1|C<4>,1|H<1>,3|C<3>}	N(CC[3,5,5]HH)(SC[6a]OO)(H)	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	3:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C[6a]-3:S-4:C-4:	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CC[3]HH)	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	4:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:S[3]-2:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3]S[3]H)(NHS)(H)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(H)	C(C[3]C[3]S[3]H)(NHS)(H)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(H)	112.0890	0.000	2	112.0890	0.000	2	112.0890	0.000	2	112.0890	0.000	2	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:2:4:1:	4:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:O[3]-2:C-4:H-1:	S-4:C-4:C-4:	C(C[3]C[3]O[3]H)(NCS)(H)2	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]H)(NCS)(H)2	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(CCHH)	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:3:4:1:	4:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C-4:C-4:H-1:	C(C[3]C[3]N[3]H)(NCH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N(CC[6a]CH)(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(NCH)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	N(CC[6a]CH)(CC[3]HH)(H)	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	109.8867	15.377	3	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:3:4:1:	4:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(NHS)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(H)	C(C[3]C[3]N[3]H)(NHS)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(H)	107.6430	0.741	2	107.6430	0.549	2	107.6430	0.549	2	109.8867	15.377	3	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:4:1:	C[3]-4:N-3:H-1:H-1:	C[3,5]-4:C[3]-4:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3,5]C[3]H)(NHS)(H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H)	N(SC[6a]OO)(CC[3]HH)(H)	C(C[3]C[3,5]C[3]H)(NHS)(H)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H){1|C<4>,1|O<1>,2|N<3>}	N(SC[6a]OO)(CC[3]HH)(H)	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	110.6706	0.154	5	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:4:1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C[6]-4:C-4:H-1:	C(C[3]C[3]2H)(NC[6]H)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	C(C[3]C[3]2H)(NC[6]H)(H)2	C[3](C[3]C[3]HH)2(CHHN)(H)	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	110.6925	0.450	4	110.6925	0.202	4	110.6925	0.202	4	110.6706	0.154	5	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-4:C-4:	C(C[3]C[3]2H)(NCC)(H)2	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHN)(H)	N(CC[3]HH)(CH3)2	C(C[3]C[3]2H)(NCC)(H)2	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHN)(H)	N(CC[3]HH)(CH3)2	114.7705	0.029	2	114.7705	0.001	2	113.4163	5.502	3	113.4163	5.502	3	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:1:1:	4:4:4:1:	4:4:4:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-4:C-4:	C(C[3]C[3]2H)(NCC)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H)	N(CC[6a]HH)2(CC[3]HH)	C(C[3]C[3]2H)(NCC)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H){2|C<3>}	N(CC[6a]HH)2(CC[3]HH)	110.7080	0.000	1	110.7080	0.000	1	113.4163	5.502	3	113.4163	5.502	3	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:3:1:	3:4:4:3:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	N[3]-3:C[3]-4:C-4:C-3:	C-4:S-4:H-1:	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	N(CC[6a]C[3]H)(SC[6a]OO)(H)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	N(CC[6a]C[3]H)(SC[6a]OO)(H)	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	106.4380	0.000	1	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:3:1:	4:3:4:1:	4:4:1:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:N[3]-3:C-4:Cl-1:	C-4:C-4:H-1:	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	N(CC[6a]C[3]H)(CCCH)(H)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	N(CC[6a]C[3]H)(CCCH)(H)	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:3:3:1:	4:4:3:4:	4:4:4:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:C[3]-4:B[5]-3:C-4:	C-4:C-4:C-4:	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN)	N(CC[6a]C[3]H)(CC[6a]HH)2	C(C[3]B[5]C[3]2)(C[6a]C[6a]2)(NCC)(H)	C[3](C[3]C[3]HH)2(B[5]O[5]2)(CC[6a]HN){2|C<4>}	N(CC[6a]C[3]H)(CC[6a]HH)2	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:4:3:1:	4:2:4:1:	4:4:4:	C[3]-4:C-4:N-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C-4:C-4:C-4:	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	N(CC[6a]HH)2(CC[3]CH)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	N(CC[6a]HH)2(CC[3]CH)	112.9300	0.000	1	112.9300	0.000	1	113.6883	0.452	4	113.6883	0.452	4	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:4:3:1:	4:2:4:1:	4:4:4:	C[3]-4:C-4:N-3:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C-4:C-4:C-4:	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	N(CC[6a]HH)2(CC[3]CH)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	N(CC[6a]HH)2(CC[3]CH)	113.9410	0.543	3	113.9410	0.295	3	113.6883	0.452	4	113.6883	0.452	4	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:4:3:1:	4:3:4:1:	4:4:1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N(SC[6a]OO)(CC[3]CH)(H)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	N(SC[6a]OO)(CC[3]CH)(H)	111.0840	0.000	1	111.0840	0.000	1	111.0840	0.000	1	108.9743	3.340	3	111.1759	6.126	25	111.2415	5.993	26
490	486	956	0:SP3_SP3_SP3	C	C[3]	N	4:4:3:1:	4:3:4:1:	4:4:1:	C[3]-4:P-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	S-4:C-4:H-1:	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N(SC[6a]OO)(CC[3]HP)(H)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	N(SC[6a]OO)(CC[3]HP)(H)	107.9195	0.054	2	107.9195	0.003	2	107.9195	0.003	2	108.9743	3.340	3	111.1759	6.126	25	111.2415	5.993	26
490	486	983	0:SP3_SP1_SP3	C	C[3,6]	C	4:2:2:1:	4:4:2:4:	4:2:	C[3,6]-4:C-2:O-2:H-1:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C-4:C-2:	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C(CC[3,6]HO)(CC)	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	C(CC[3,6]HO)(CC)	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	3:4:4:2:	4:4:4:1:	4:2:	C[6a]-3:C[3]-4:P-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	C(CC[6a]C[3]P)(CH)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	C(CC[6a]C[3]P)(CH)	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:2:1:1:	4:3:4:4:	4:2:	C[3]-4:C-2:H-1:O-1:	C[3]-4:N[3]-3:C-4:C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(H)(O)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CH)	C(C[3]C[3]N[3]C)(CC)(H)(O)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CH)	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:2:2:1:	4:2:4:1:	4:2:	C[3]-4:C-2:O-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C-4:C-2:	C(C[3]C[3]O[3]H)(CC)(OH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(CC[3]HO)(CC)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(CC[3]HO)(CC)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:2:2:1:	4:3:4:4:	4:2:	C[3]-4:C-2:O-2:H-1:	C[3]-4:N[3]-3:C-4:C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CC)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CC)	109.6420	0.000	1	109.6420	0.000	1	108.1535	4.431	2	108.1535	4.431	2	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:2:2:1:	4:3:4:4:	4:2:	C[3]-4:C-2:O-2:H-1:	C[3]-4:N[3]-3:C-4:C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CH)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(CC[3]HO)(CH)	106.6650	0.000	1	106.6650	0.000	1	108.1535	4.431	2	108.1535	4.431	2	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:2:2:1:	4:4:4:4:	4:1:	C[3]-4:C-2:O-2:H-1:	C[3]-4:C[3]-4:C-4:C-4:	C-4:N-1:	C(C[3]C[3]2C)(CN)(OH)(H)	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCHO)(CH3)	C(CC[3]HO)(N)	C(C[3]C[3]2C)(CN)(OH)(H)	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCHO)(CH3)	C(CC[3]HO)(N)	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:3:4:2:	4:4:4:1:	4:2:	C[3]-4:C[6]-3:P-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-2:	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	C(CC[3]C[6]P)(CH)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	C(CC[3]C[6]P)(CH)	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:4:2:2:	4:4:4:1:	4:2:	C[3]-4:C-4:C-2:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-2:	C(C[3]C[3]2H)(CC3)(CC)(OH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H)	C(CC[3]CO)(CH)	C(C[3]C[3]2H)(CC3)(CC)(OH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H){2|C<3>}	C(CC[3]CO)(CH)	110.5110	0.000	1	110.5110	0.000	1	111.0023	0.182	3	111.0023	0.182	3	109.6682	2.576	10	109.9366	3.111	11
490	486	983	0:SP3_SP1_SP3	C	C[3]	C	4:4:2:2:	4:4:4:1:	4:2:	C[3]-4:C-4:C-2:O-2:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C-2:	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H)	C(CC[3]CO)(CH)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H){2|C<3>}	C(CC[3]CO)(CH)	111.2480	0.052	2	111.2480	0.003	2	111.0023	0.182	3	111.0023	0.182	3	109.6682	2.576	10	109.9366	3.111	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	3:4:4:2:	4:4:4:1:	4:3:3:1:	C[6a]-3:C[3]-4:P-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C-4:C[6a]-3:C[6a]-3:O-1:	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	P(CC[6a]C[3]C)(C[6a]C[6a]2)2(O)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	P(CC[6a]C[3]C)(C[6a]C[6a]2)2(O)	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	105.0790	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:3:4:2:	4:3:4:1:	4:2:2:1:	C[3]-4:C[6a]-3:P-4:O-2:	C[3]-4:N[3]-3:C-4:H-1:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	P(CC[6a]C[3]O)(OC)2(O)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	P(CC[6a]C[3]O)(OC)2(O)	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:3:4:2:	4:4:4:1:	3:3:4:1:	C[3]-4:C[6]-3:P-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	P(C[6a]C[6a]2)2(CC[3]C[6]C)(O)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	P(C[6a]C[6a]2)2(CC[3]C[6]C)(O)	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:1:1:	5:5:4:1:	3:3:4:1:	C[3]-4:P-4:H-1:H-1:	B[3,3]-5:B[3,3]-5:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H)	P(C[6a]C[6a]2)2(CC[3]HH)(H)	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H){8|C<3>}	P(C[6a]C[6a]2)2(CC[3]HH)(H)	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	106.2180	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:2:1:	4:2:4:1:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:O[3]-2:C-4:H-1:	C-4:O-2:O-2:O-1:	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	P(CC[3]HO)(OC)2(O)	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:2:1:	4:3:4:1:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	P(CC[3]HO)(OC)2(O)	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:2:1:	4:4:4:1:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C[3,6]-4:C[3]-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H){1|C<3>,1|O<1>,1|O<2>}	P(CC[3]HO)(OC)2(O)	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:3:1:	4:3:4:1:	4:2:2:1:	C[3]-4:P-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	P(CC[3]HN)(OC)2(O)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	P(CC[3]HN)(OC)2(O)	109.9030	0.081	2	109.9030	0.006	2	109.9030	0.006	2	109.9030	0.006	2	108.5705	5.173	11	108.5705	5.173	11
490	486	992	0:SP3_SP3_SP3	C	C[3]	P	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[3]-4:N-4:P-4:P-4:	C[3]-4:C[3]-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(C[3]C[3]2H)(NH3)(PO3)2	C[3](C[3]C[3]HH)2(CNPP)(H)	P(CC[3]NP)(OH)(O)2	C(C[3]C[3]2H)(NH3)(PO3)2	C[3](C[3]C[3]HH)2(CNPP)(H)	P(CC[3]NP)(OH)(O)2	108.3595	0.136	2	108.3595	0.019	2	108.3595	0.019	2	108.3595	0.019	2	108.5705	5.173	11	108.5705	5.173	11
490	490	490	0:SP3_SP3_SP3	C	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O-2:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])2(CH3)2	C(CCOO)(H)3	C(CCOO)(H)3	C(OC[6a])2(CH3)2	C(CCOO)(H)3	C(CCOO)(H)3	113.5367	0.123	3	113.5367	0.015	3	113.5367	0.015	3	113.5367	0.015	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O-2:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])2(CCHH)(CH3)	C(CCCH)(CCOO)(H)2	C(CCOO)(H)3	C(OC[6a])2(CCHH)(CH3)	C(CCCH)(CCOO)(H)2	C(CCOO)(H)3	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	116.4620	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	2:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)3	C(OC[6a])(CHHO)(CH3)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)3	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	2:4:1:1:	4:3:1:1:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(CCH)(H)2	C(OC[5])(CCHH)(CHHO)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(CCH)(H)2	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	2:4:4:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	C(OC[6a])(CCHO)(CH3)(H)	C(OC[6a])(CCHO)(CH3)(H)	C(CCHO)(H)3	113.2234	1.325	12	113.2234	1.755	12	113.2234	1.755	12	113.2234	1.755	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	3:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	C(CCHO)(H)3	C(OC[6])(CHHN)(CH3)(H)	C(NC[6a]S)(CCHO)(H)2	C(CCHO)(H)3	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	Br-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	C(CBrCH)(H)3	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	C(CBrCH)(H)3	116.5920	0.000	1	116.5920	0.000	1	116.5920	0.000	1	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3x3])(CH3)2(C)	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3x3])(CH3)2(C)	C(CCCN)(H)3	C(CCCN)(H)3	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.7000	0.000	1	109.7000	0.000	1	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5310	0.507	3	111.5310	0.257	3	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2584	0.691	13	111.2584	0.477	13	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4963	0.627	3	110.4963	0.393	3	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5448	1.203	5	111.5448	1.447	5	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.9075	0.878	2	111.9075	0.770	2	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.6350	0.000	1	109.6350	0.000	1	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2910	0.000	1	111.2910	0.000	1	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	108.9690	0.000	1	108.9690	0.000	1	111.1192	0.915	30	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(OC[5,6])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	112.4020	0.000	1	112.4020	0.000	1	112.9071	0.602	8	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(OC[5])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	113.1078	0.803	6	113.1078	0.645	6	112.9071	0.602	8	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(OC[6])(CF3)2(H)	C(CCHO)(F)3	C(CCHO)(F)3	112.2080	0.000	1	112.2080	0.000	1	112.9071	0.602	8	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OB[3,3,5,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.6150	0.000	1	111.6150	0.000	1	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OB[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.3255	0.421	2	110.3255	0.177	2	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[4,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.7930	0.000	1	111.7930	0.000	1	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[4])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.7400	0.402	3	113.7400	0.161	3	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[4a])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	115.2365	0.494	2	115.2365	0.244	2	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[5])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.7403	1.712	16	112.7403	2.933	16	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.9666	2.067	15	111.9666	4.273	15	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[6a])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.5269	0.991	126	112.5269	0.982	126	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OGe[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.8580	0.000	1	111.8580	0.000	1	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(ONb[6,6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	114.9405	3.635	2	114.9405	13.215	2	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(ONb[6])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.0624	1.363	7	113.0624	1.857	7	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OP[5])(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.5390	2.000	2	113.5390	3.999	2	112.5716	1.735	178	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[3x3,3x5,12x6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[3x3,3x5,12x6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.4320	0.000	1	111.4320	0.000	1	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5,6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5,6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.2040	0.000	1	112.2040	0.000	1	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.0845	1.311	8	111.0845	1.718	8	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5a])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5a])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.1193	0.199	4	112.1193	0.039	4	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.9690	0.462	13	111.9690	0.213	13	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.8051	0.705	24	111.8051	0.497	24	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[5])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SN[5])(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.3330	0.000	1	112.3330	0.000	1	111.7700	0.619	52	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:1:1:1:	4:1:1:1:	Se-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeFe)(CH3)2(H)	C(CSeCH)(H)3	C(CSeCH)(H)3	C(SeFe)(CH3)2(H)	C(CSeCH)(H)3	C(CSeCH)(H)3	112.0715	0.511	2	112.0715	0.261	2	112.0715	0.261	2	112.2759	1.701	272	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:2:1:1:	4:2:1:1:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	C(CCHO)(OH)(H)2	C(ON[6])(CHHO)2(H)	C(CCHO)(OH)(H)2	C(CCHO)(OH)(H)2	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:3:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(H)3	C(OC[6])(CCHH)(CH3)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(H)3	111.5968	0.808	6	111.5968	0.652	6	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	116.1375	0.374	2	116.1375	0.140	2	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(H)3	112.5834	1.539	10	112.5834	2.367	10	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	113.0325	2.592	2	113.0325	6.716	2	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	111.3410	0.000	1	111.3410	0.000	1	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	111.4670	0.324	2	111.4670	0.105	2	112.5230	3.045	23	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:1:1:1:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)2(H)2	C(CCHS)(H)3	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)2(H)2	C(CCHS)(H)3	113.2280	1.626	6	113.2280	2.642	6	113.2280	2.642	6	112.6689	2.949	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:2:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(OC)(H)2	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:4:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)2(H)	C(CCHO)(CH3)(H)2	C(CCHO)(CH3)(H)2	114.2397	1.099	7	114.2397	1.209	7	114.1722	2.414	11	113.8011	3.847	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:4:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)2(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	114.0540	2.366	4	114.0540	5.600	4	114.1722	2.414	11	113.8011	3.847	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:4:1:1:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a])(CCHH)2(H)	C(CCHS)(CFFH)(H)2	C(CCHS)(CHHO)(H)2	C(SC[6a])(CCHH)2(H)	C(CCHS)(CFFH)(H)2	C(CCHS)(CHHO)(H)2	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	113.8011	3.847	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:1:1:	4:4:4:2:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	113.2270	0.000	2	113.2270	0.000	2	113.2270	0.000	2	113.2270	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	113.9210	0.000	1	113.9210	0.000	1	113.5660	0.252	2	113.5660	0.252	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	113.2110	0.000	1	113.2110	0.000	1	113.5660	0.252	2	113.5660	0.252	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:2:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(OC[6])(CCHO)(CHHO)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	111.1750	0.000	1	111.1750	0.000	1	111.6645	0.479	2	111.6645	0.479	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:2:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	112.1540	0.000	1	112.1540	0.000	1	111.6645	0.479	2	111.6645	0.479	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:4:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(H)2	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(H)2	115.3030	0.000	1	115.3030	0.000	1	114.5565	1.115	2	114.5565	1.115	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:2:1:	4:4:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	113.8100	0.000	1	113.8100	0.000	1	114.5565	1.115	2	114.5565	1.115	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:3:1:	4:4:1:1:	S-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHO)(CCHS)(CNO)(H)	C(CCHS)(CH3)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHO)(CCHS)(CNO)(H)	C(CCHS)(CH3)(H)2	114.9030	0.000	1	114.9030	0.000	1	113.1440	6.188	2	112.7623	3.531	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:3:1:	4:4:1:1:	S-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(CCO)(H)	C(CC[5]HH)(CCHS)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHS)(CH3)(CCO)(H)	C(CC[5]HH)(CCHS)(H)2	111.3850	0.000	1	111.3850	0.000	1	113.1440	6.188	2	112.7623	3.531	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:3:1:	4:4:1:1:	S-2:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHS)(CH3)(H)2	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHS)(CH3)(H)2	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	112.7623	3.531	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:3:1:	4:4:2:1:	S-2:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:P-4:O-2:H-1:	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(CF3)(NCH)(H)	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHS)(CF3)(NCH)(H)	C(CCHS)(PO3)(OH)(H)	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:3:1:	4:4:4:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)2(H)	C(CCHO)(CH3)(COO)(H)	C(CCHO)2(CH3)(H)	110.8470	0.680	2	110.8470	0.463	2	110.8470	0.463	2	110.8470	0.463	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:1:	4:3:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCC)(H)2	C(OC[6a])(CCCH)(CHHN)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCC)(H)2	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:1:	4:4:3:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	C(CCHO)(CH3)(COO)(H)	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	C(CCHO)(CH3)(COO)(H)	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:1:	4:4:4:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	C(CCHO)(CH3)2(H)	C(OC[6])(CCCH)2(H)	C(CCHO)(CHHO)2(H)	C(CCHO)(CH3)2(H)	114.0450	0.481	2	114.0450	0.231	2	114.0450	0.231	2	114.0450	0.231	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:2:	4:4:1:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:2:	4:4:3:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)(CH3)(CCO)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)(CH3)(CCO)(H)	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:2:	4:4:4:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)2(CH3)(H)	114.8570	0.000	1	114.8570	0.000	1	114.8360	0.001	2	114.8360	0.001	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:1:	4:4:4:2:	4:4:4:1:	O-2:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHO)2(CH3)(H)	114.8150	0.000	1	114.8150	0.000	1	114.8360	0.001	2	114.8360	0.001	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	C(CCCO)(H)3	111.5610	0.000	1	111.5610	0.000	1	111.7575	0.077	2	111.9023	0.108	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	C(CCCO)(H)3	111.9540	0.000	1	111.9540	0.000	1	111.7575	0.077	2	111.9023	0.108	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	C(CCOO)(H)3	C(OC[6])(CH3)2(OC)	C(CCOO)(H)3	C(CCOO)(H)3	111.9748	0.364	4	111.9748	0.133	4	111.9748	0.133	4	111.9023	0.108	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:3:3:1:	4:1:1:1:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	C(CCCO)(H)3	107.3500	0.000	1	107.3500	0.000	1	108.7515	3.928	2	108.7515	3.928	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:3:3:1:	4:1:1:1:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(H)3	110.1530	0.000	1	110.1530	0.000	1	108.7515	3.928	2	108.7515	3.928	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:2:	4:4:3:1:	4:1:1:1:	O-2:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	C(CCCO)(H)3	114.3035	0.590	4	114.3035	0.348	4	114.3035	0.348	4	114.3035	0.348	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CH3)2(CCH)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5])(CH3)2(CCH)	C(CCCO)(H)3	C(CCCO)(H)3	110.4170	0.000	1	110.4170	0.000	1	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CH3)2(CHH)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5])(CH3)2(CHH)	C(CCCO)(H)3	C(CCCO)(H)3	110.4170	0.000	1	110.4170	0.000	1	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(CCC)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCC)	C(CCCO)(H)3	C(CCCO)(H)3	110.7280	0.670	3	110.7280	0.449	3	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(CCH)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(CCH)	C(CCCO)(H)3	C(CCCO)(H)3	111.4550	0.000	1	111.4550	0.000	1	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(CNO)	C(CCCO)(H)3	C(CCCO)(H)3	111.6396	0.774	10	111.6396	0.599	10	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	110.6800	0.652	15	110.6800	0.425	15	111.0022	0.633	31	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CH3)2(CCO)	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a])(CH3)2(CCO)	C(CCCS)(H)3	C(CCCS)(H)3	111.0780	0.000	1	111.0780	0.000	1	111.9850	1.645	2	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CH3)2(COO)	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a])(CH3)2(COO)	C(CCCS)(H)3	C(CCCS)(H)3	112.8920	0.000	1	112.8920	0.000	1	111.9850	1.645	2	111.0618	0.701	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:3:1:1:	4:1:1:1:	S-2:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CHHN)(CH3)(COO)	C(CCCS)(NCH)(H)2	C(CCCS)(H)3	C(SC[6a])(CHHN)(CH3)(COO)	C(CCCS)(NCH)(H)2	C(CCCS)(H)3	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)(CCH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	112.5590	0.974	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:3:	4:4:2:1:	4:1:1:1:	Se-2:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(SeC[6a])(CCHO)(CH3)(COO)	C(CSeCC)(CCHN)(OH)(H)	C(CSeCC)(H)3	C(SeC[6a])(CCHO)(CH3)(COO)	C(CSeCC)(CCHN)(OH)(H)	C(CSeCC)(H)3	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	112.5590	0.974	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	2:4:4:4:	4:1:1:1:	O-2:C-4:C-4:C-4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(OB[5])(CCCO)(CH3)2	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	111.5337	0.135	4	111.5337	0.018	4	111.5337	0.018	4	111.5337	0.018	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4,5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[4,5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2710	1.117	3	110.2710	1.248	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	107.8570	1.860	3	107.8570	3.460	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8693	2.087	57	109.8693	4.357	57	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.0360	0.049	2	110.0360	0.002	2	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6344	3.158	24	109.6344	9.972	24	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5x3,5x5,5x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5x3,5x5,5x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5333	1.765	3	109.5333	3.115	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5781	1.768	18	109.5781	3.127	18	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.8970	0.000	1	108.8970	0.000	1	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[10x3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[10x3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9047	1.079	9	109.9047	1.164	9	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9651	1.972	9	109.9651	3.887	9	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,3,3x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3,3,3x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4366	3.819	12	109.4366	14.581	12	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4729	0.739	9	109.4729	0.547	9	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9805	0.329	2	109.9805	0.108	2	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9053	0.774	18	109.9053	0.600	18	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3x3,5,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3x3,5,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0323	2.632	3	110.0323	6.930	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7797	1.065	6	109.7797	1.134	6	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3007	0.739	12	109.3007	0.546	12	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[4,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[4,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2980	0.476	3	110.2980	0.227	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[4x3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[4x3,4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7607	3.326	3	109.7607	11.062	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4728	4.031	6	109.4728	16.252	6	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3933	0.519	12	109.3933	0.270	12	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3072	0.651	9	110.3072	0.424	9	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6,6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5887	1.258	6	109.5887	1.582	6	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9568	0.871	69	109.9568	0.759	69	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1082	1.193	66	109.1082	1.424	66	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9094	0.743	54	109.9094	0.553	54	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NS[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NS[6])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8647	1.561	3	109.8647	2.436	3	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSe[4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSe[4])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7150	0.761	9	109.7150	0.579	9	109.6854	2.651	431	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.7592	0.238	4	110.7592	0.056	4	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OB[5x3,5x5,20x6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OB[5x3,5x5,20x6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.0576	0.961	9	111.0576	0.924	9	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[3])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[3])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	112.0213	2.606	3	112.0213	6.789	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.8597	1.761	6	110.8597	3.100	6	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5,5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5,5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.8183	0.687	9	110.8183	0.471	9	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5,6,6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5,6,6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.9807	0.646	3	109.9807	0.417	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5,6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5,6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.6797	0.705	26	110.6797	0.497	26	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5])(CCHH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.8675	0.059	2	110.8675	0.003	2	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.7412	0.869	77	110.7412	0.754	77	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5a])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[5a])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.6327	1.287	3	111.6327	1.656	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.3399	0.436	7	110.3399	0.190	7	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9790	1.239	9	110.9790	1.534	9	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.9280	0.000	1	109.9280	0.000	1	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.2780	0.538	3	111.2780	0.289	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OC[6a])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9934	1.144	45	110.9934	1.309	45	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OGe[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OGe[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4773	1.420	6	110.4773	2.016	6	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OGe[5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OGe[5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.6443	1.247	18	110.6443	1.554	18	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OGe[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OGe[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.6977	0.331	3	109.6977	0.110	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OIn[3x6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OIn[3x6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4747	1.005	3	110.4747	1.010	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ON[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(ON[6])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.3233	0.772	3	111.3233	0.596	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OP[5,5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OP[5,5])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.7627	1.433	3	110.7627	2.054	3	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.7780	0.363	2	109.7780	0.132	2	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSi[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OSi[4])(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.6069	1.338	15	110.6069	1.791	15	110.7770	1.074	260	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	P-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5])(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5])(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.0657	0.127	3	110.0657	0.016	3	110.0657	0.016	3	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[3x6])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[3x6])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	109.7413	1.414	6	109.7413	1.998	6	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6179	0.895	15	110.6179	0.801	15	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5a])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5a])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.7543	0.401	3	110.7543	0.161	3	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6007	0.464	3	110.6007	0.215	3	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.3800	0.095	4	110.3800	0.009	4	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a])(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6902	1.857	36	110.6902	3.450	36	110.5694	2.237	67	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	Se-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeC[6a])(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SeC[6a])(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.6558	1.162	18	110.6558	1.350	18	110.4080	1.030	30	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	Se-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeNb[10x3])(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SeNb[10x3])(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	109.9908	0.438	6	109.9908	0.192	6	110.4080	1.030	30	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	Se-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SePt)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SePt)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.0143	0.346	3	110.0143	0.120	3	110.4080	1.030	30	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	Se-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeZr)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SeZr)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.1493	1.206	3	110.1493	1.454	3	110.4080	1.030	30	110.1465	2.283	792	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:3:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(OIn[6])(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	108.0595	2.965	2	108.0595	8.791	2	108.0595	8.791	2	109.2350	5.504	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:3:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCH)(H)2	C(CCCO)(H)3	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCH)(H)2	C(CCCO)(H)3	110.4105	1.481	2	110.4105	2.195	2	110.4105	2.195	2	109.2350	5.504	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:3:4:4:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(OPdH)(CH3)2	C(CCCO)(H)3	C(OP[5])(CCCO)(CH3)2	C(CCCO)(OPdH)(CH3)2	C(CCCO)(H)3	113.0055	1.411	2	113.0055	1.990	2	113.0055	1.990	2	113.0055	1.990	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	109.8827	2.714	6	109.8827	7.364	6	109.9046	7.252	12	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	110.0122	3.189	4	110.0122	10.167	4	109.9046	7.252	12	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.7550	3.516	2	109.7550	12.360	2	109.9046	7.252	12	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	110.4580	2.143	2	110.4580	4.590	2	110.7440	1.640	4	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.0300	0.042	2	111.0300	0.002	2	110.7440	1.640	4	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	S-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(CCHN)(H)2	C(CCCS)(H)3	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(CCHN)(H)2	C(CCCS)(H)3	110.3978	2.131	8	110.3978	4.541	8	110.3978	4.541	8	110.2089	5.175	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	112.7380	1.259	2	112.7380	1.584	2	111.2582	2.979	22	111.2582	2.979	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	110.2130	3.531	2	110.2130	12.470	2	111.2582	2.979	22	111.2582	2.979	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	110.9862	1.618	12	110.9862	2.618	12	111.2582	2.979	22	111.2582	2.979	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(H)3	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(H)3	112.2275	1.149	4	112.2275	1.319	4	111.2582	2.979	22	111.2582	2.979	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OH)(H)	C(CCCO)(H)3	C(OC[6a])(CCHO)(CH3)2	C(CCCO)(CHHO)(OH)(H)	C(CCCO)(H)3	110.5170	1.853	2	110.5170	3.432	2	111.2582	2.979	22	111.2582	2.979	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:2:1:	4:4:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	110.1720	0.423	2	110.1720	0.179	2	110.1720	0.179	2	110.1720	0.179	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:3:1:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(CH3)(NHS)(H)	C(CCCO)(H)3	C(OC[6a])(CCHN)(CH3)2	C(CCCO)(CH3)(NHS)(H)	C(CCCO)(H)3	111.1260	0.795	2	111.1260	0.632	2	111.1260	0.632	2	111.1260	0.632	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:4:2:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	112.1245	0.284	2	112.1245	0.080	2	112.2817	0.202	6	112.2817	0.202	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:4:2:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	C(OB[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	111.9625	0.329	2	111.9625	0.108	2	112.2817	0.202	6	112.2817	0.202	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	2:4:4:4:	4:4:4:2:	4:1:1:1:	O-2:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(OP[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	C(OP[5])(CCCO)(CH3)2	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	112.7580	0.335	2	112.7580	0.112	2	112.2817	0.202	6	112.2817	0.202	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5])(OC[6a])(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6a]C[5])(OC[6a])(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	110.7542	1.251	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(OP[6])(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OP[6])(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.4037	0.255	6	111.4037	0.065	6	111.4037	0.065	6	110.7542	1.251	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C(CC[5a]CO)(H)3	C(CC[5a]CO)(H)3	C(C[5a]C[5a]S[5a])(OC[6a])(CH3)2	C(CC[5a]CO)(H)3	C(CC[5a]CO)(H)3	111.1500	0.000	1	111.1500	0.000	1	111.1500	0.000	1	110.7542	1.251	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	110.7542	1.251	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:O-2:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(H)3	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	110.7542	1.251	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CC[5]2C)(H)2	C(CC[5]2C)(H)3	108.4445	0.278	2	108.4445	0.077	2	108.6330	0.145	3	108.9963	0.731	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(CC[5]2C)(H)2	C(CC[5]2C)(H)3	109.0100	0.000	1	109.0100	0.000	1	108.6330	0.145	3	108.9963	0.731	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CN[5a]HH)(CH3)	C(N[5a]C[5a]N[5a])(CC[5a]2C)(H)2	C(CC[5a]2C)(H)3	110.0025	0.305	2	110.0025	0.093	2	110.0025	0.093	2	108.9963	0.731	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[5a]HH)(CH3)	C(C[5a]C[5a]N[5a])(CC[6a]2C)(H)2	C(CC[6a]2C)(H)3	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.9963	0.731	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	3:4:4:2:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(CC[6a]2C)(H)3	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.8020	0.000	1	108.8020	0.000	1	108.6390	0.382	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.9560	0.000	1	107.9560	0.000	1	108.6390	0.382	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]O)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.1590	0.000	1	109.1590	0.000	1	108.6390	0.382	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]P)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	107.3810	0.000	1	107.3810	0.000	1	109.9065	1.183	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	112.3080	0.000	1	112.3080	0.000	1	109.9065	1.183	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	109.9161	0.606	13	109.9161	0.367	13	109.9065	1.183	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	108.1750	0.471	2	108.1750	0.222	2	109.6497	3.024	4	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[5]N[5]O[5])(C[6a]N[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	111.1245	0.388	2	111.1245	0.151	2	109.6497	3.024	4	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(NPdC)(CH3)2	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	C(C[5]C[5]N[5])(NPdC)(CH3)2	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	110.9095	0.586	2	110.9095	0.344	2	110.9095	0.344	2	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(OFe2)(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(OFe2)(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.9360	0.000	1	111.9360	0.000	1	111.0047	0.745	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(ONiH)(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(ONiH)(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.5390	0.434	2	110.5390	0.188	2	111.0047	0.745	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.1321	0.768	32	108.1321	0.589	32	108.6213	0.824	75	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.3262	0.900	13	108.3262	0.809	13	108.6213	0.824	75	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	109.2710	0.631	30	109.2710	0.398	30	108.6213	0.824	75	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5,5a]N[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]N[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.9297	0.250	4	108.9297	0.062	4	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5,5a]S[5a])(C[5a]C[5a]N[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.6965	0.653	2	108.6965	0.426	2	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]2)2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]2)2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.6482	0.779	5	108.6482	0.607	5	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.7540	0.000	2	108.7540	0.000	2	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	109.3322	0.606	6	109.3322	0.368	6	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.8926	0.521	26	108.8926	0.272	26	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	108.3765	0.694	201	108.3765	0.482	201	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	109.7962	0.213	5	109.7962	0.046	5	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a,6]C[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]N[5a,6]C[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	106.5780	0.000	1	106.5780	0.000	1	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]S[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	C(C[5a]N[5a]S[5a])2(CH3)2	C(CC[5a]2C)(H)3	C(CC[5a]2C)(H)3	110.0665	0.301	2	110.0665	0.090	2	108.5056	0.544	254	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	106.3910	0.339	2	106.3910	0.115	2	106.3910	0.115	2	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	107.4598	1.169	6	107.4598	1.367	6	107.5626	1.213	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	108.1790	0.000	1	108.1790	0.000	1	107.5626	1.213	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:N[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C(CC[5a]N[5a]C)(H)3	C(CC[5a]N[5a]C)(H)3	C(C[5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(CH3)2	C(CC[5a]N[5a]C)(H)3	C(CC[5a]N[5a]C)(H)3	110.7490	0.838	5	110.7490	0.702	5	110.7490	0.702	5	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	C(C[6]C[6]N[6])2(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	106.1573	0.836	3	106.1573	0.699	3	106.1573	0.699	3	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	107.2740	0.333	4	107.2740	0.111	4	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	108.7203	0.585	6	108.7203	0.343	6	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	106.9320	0.000	1	106.9320	0.000	1	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	110.2110	0.000	1	110.2110	0.000	1	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NPdC)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NPdC)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	110.1720	0.000	1	110.1720	0.000	1	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NZnC)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NZnC)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	109.8765	0.088	2	109.8765	0.008	2	108.5657	1.447	15	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(OIrH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OIrH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.8983	0.756	3	110.8983	0.572	3	110.2506	1.543	9	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(ONiH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ONiH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.8930	0.000	1	109.8930	0.000	1	110.2506	1.543	9	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(OPdH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(OPdH)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	111.5840	0.000	2	111.5840	0.000	2	110.2506	1.543	9	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(ORu2)(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	108.8330	0.336	3	108.8330	0.113	3	110.2506	1.543	9	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	C(CC[6a]CC)(Br)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CBrHH)(CH3)	C(CC[6a]CC)(Br)(H)2	C(CC[6a]CC)(H)3	110.4955	1.191	2	110.4955	1.420	2	110.4955	1.420	2	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]H)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	105.8200	0.000	1	105.8200	0.000	1	107.2988	2.557	19	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]O)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.0500	0.000	1	107.0500	0.000	1	107.2988	2.557	19	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CMoH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMoH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.9947	0.743	12	107.9947	0.552	12	107.2988	2.557	19	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.6497	1.001	3	107.6497	1.001	3	107.2988	2.557	19	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CPdN)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdN)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	103.4605	0.238	2	103.4605	0.057	2	107.2988	2.557	19	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)2	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(H)3	108.3490	2.418	2	108.3490	5.848	2	108.3490	5.848	2	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C(CC[6a]C[6]C)(H)3	C(CC[6a]C[6]C)(H)3	107.5550	0.678	6	107.5550	0.459	6	107.5550	0.459	6	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)2(CF3)2	C(CC[6a]2C)(F)3	C(CC[6a]2C)(F)3	C(C[6a]C[6a]2)2(CF3)2	C(CC[6a]2C)(F)3	C(CC[6a]2C)(F)3	108.1898	0.336	17	108.1898	0.113	17	108.1898	0.113	17	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	C(CC[6a]2C)(H)3	C(CC[6a]2C)(H)3	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)2	C(CC[6a]2C)(H)3	C(CC[6a]2C)(H)3	107.0957	0.269	3	107.0957	0.073	3	107.4878	0.714	133	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(CH3)2	C(CC[6a]2C)(H)3	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CH3)2	C(CC[6a]2C)(H)3	C(CC[6a]2C)(H)3	107.4969	0.852	130	107.4969	0.726	130	107.4878	0.714	133	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NCoH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NCoH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	108.2930	0.000	1	108.2930	0.000	1	108.2300	0.846	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NIrH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	107.9820	0.000	1	107.9820	0.000	1	108.2300	0.846	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NSiTi)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NSiTi)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	107.3170	0.000	1	107.3170	0.000	1	108.2300	0.846	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NTiC)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NTiC)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	107.0350	0.000	1	107.0350	0.000	1	108.2300	0.846	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	108.9943	0.705	3	108.9943	0.497	3	108.2300	0.846	7	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C(CC[6a]N[5]C)(H)3	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	C(CC[6a]N[5]C)(H)3	C(CC[6a]N[5]C)(H)3	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C(CC[6a]N[5a]C)(H)3	C(CC[6a]N[5a]C)(H)3	C(C[6a]C[6a]N[6a])(N[5a]C[5a]S[5a])(CH3)2	C(CC[6a]N[5a]C)(H)3	C(CC[6a]N[5a]C)(H)3	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(OFe2)(CH3)2	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(OFe2)(CH3)2	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N-3:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)2(CH3)2	C(CCNN)(H)3	C(CCNN)(H)3	C(NC[6a]H)2(CH3)2	C(CCNN)(H)3	C(CCNN)(H)3	110.7920	0.000	1	110.7920	0.000	1	110.7920	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	C(CN[5,6]C[6a]C)(H)3	C(CN[5,6]C[6a]C)(H)3	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	C(CN[5,6]C[6a]C)(H)3	C(CN[5,6]C[6a]C)(H)3	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	C(CN[5]2C)(H)3	C(N[5]C[5]N[5])2(CH3)2	C(CN[5]2C)(H)3	C(CN[5]2C)(H)3	110.4305	1.139	2	110.4305	1.298	2	110.4305	1.298	2	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C(CC[5a]N[5a]C)(H)3	C(CC[5a]N[5a]C)(H)3	C(N[5a]C[5a]S[5a])(C[5a]N[5a]2)(CH3)2	C(CC[5a]N[5a]C)(H)3	C(CC[5a]N[5a]C)(H)3	109.8247	0.649	4	109.8247	0.421	4	109.8247	0.421	4	108.3425	1.295	595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C(CC[5a]2C)(OC)(H)2	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CHHO)(CH3)	C(CC[5a]2C)(OC)(H)2	C(CC[5a]2C)(H)3	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C(CC[5a]2C)(NOO)(H)2	C(CC[5a]2C)(F)3	C(C[5a]C[5a,6a]C[5a])2(CHHN)(CF3)	C(CC[5a]2C)(NOO)(H)2	C(CC[5a]2C)(F)3	106.5233	2.932	3	106.5233	8.598	3	106.5233	8.598	3	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C(CC[5a]C[6a]C)(NOO)(H)2	C(CC[5a]C[6a]C)(F)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CF3)	C(CC[5a]C[6a]C)(NOO)(H)2	C(CC[5a]C[6a]C)(F)3	109.2352	1.166	6	109.2352	1.359	6	109.2352	1.359	6	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C(CC[5a]C[6a]C)(NCC)(H)2	C(CC[5a]C[6a]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHHN)(CH3)	C(CC[5a]C[6a]C)(NCC)(H)2	C(CC[5a]C[6a]C)(H)3	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(CC[6]N)(H)2	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C(CC[6]CN)(CC[6]N)(H)2	C(CC[6]CN)(H)3	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	C(CC[6a]B[5]C)(COO)(H)2	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	C(CC[6a]B[5]C)(COO)(H)2	C(CC[6a]B[5]C)(H)3	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	C(CC[6a]CC)(CCH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CN[5]O)(CCHH)(CH3)	C(CC[6a]CC)(CCH)(H)2	C(CC[6a]CC)(H)3	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	C(CC[6a]CN)(H)3	108.4567	0.614	3	108.4567	0.377	3	108.9513	1.229	4	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(NC[6a]H)(CCHH)(CH3)	C(CC[6a]CN)(CC[6a]N)(H)2	C(CC[6a]CN)(H)3	110.4350	0.000	1	110.4350	0.000	1	108.9513	1.229	4	108.5381	2.856	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5a]N[5a]2)2(CCHH)2	C(CC[5a]2C)(COO)(H)2	C(CC[5a]2C)(COO)(H)2	C(C[5a]N[5a]2)2(CCHH)2	C(CC[5a]2C)(COO)(H)2	C(CC[5a]2C)(COO)(H)2	106.2480	0.000	1	106.2480	0.000	1	106.2480	0.000	1	107.2495	2.006	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CCHH)(CHHN)	C(CC[6a]2C)(NTiH)(H)2	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CHHN)	C(CC[6a]2C)(NTiH)(H)2	C(CC[6a]2C)(CCH)(H)2	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	107.2495	2.006	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:2:1:	4:3:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CCHH)(CCHO)	C(CC[6a]2C)(CCH)(OC)(H)	C(CC[6a]2C)(CCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCHO)	C(CC[6a]2C)(CCH)(OC)(H)	C(CC[6a]2C)(CCH)(H)2	105.7220	0.000	1	105.7220	0.000	1	105.7220	0.000	1	105.7220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-3:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)2(CCCH)(CF3)	C(CC[6a]2C)(COO)2(H)	C(CC[6a]2C)(F)3	C(C[6a]C[6a]2)2(CCCH)(CF3)	C(CC[6a]2C)(COO)2(H)	C(CC[6a]2C)(F)3	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	105.9810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C-3:C-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[5]O)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	110.4810	0.660	3	110.4810	0.436	3	110.4810	0.436	3	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])2(CCHH)(CH3)	C(CC[5]2C)(CHHN)(H)2	C(CC[5]2C)(H)3	C(C[5]N[5]O[5])2(CCHH)(CH3)	C(CC[5]2C)(CHHN)(H)2	C(CC[5]2C)(H)3	111.7320	0.000	1	111.7320	0.000	1	111.7320	0.000	1	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C(CC[5a]C[5]C)(CCHH)(H)2	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C(CC[5a]C[5]C)(CCHH)(H)2	C(CC[5a]C[5]C)(H)3	107.2385	3.183	2	107.2385	10.130	2	107.2385	10.130	2	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(H)3	109.1928	1.074	17	109.1928	1.155	17	109.0989	1.978	28	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CC[5a]HH)(H)2	C(CC[5a]2C)(H)3	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CC[5a]HH)(H)2	C(CC[5a]2C)(H)3	108.6693	1.688	10	108.6693	2.850	10	109.0989	1.978	28	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(H)3	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(H)3	111.7970	0.000	1	111.7970	0.000	1	109.0989	1.978	28	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CC[6a]2C)(CCCH)(H)2	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CC[6a]2C)(CCCH)(H)2	C(CC[6a]2C)(H)3	108.8640	0.000	1	108.8640	0.000	1	109.5295	0.264	4	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CC[6a]2C)(CH3)(H)2	C(CC[6a]2C)(H)3	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CC[6a]2C)(CH3)(H)2	C(CC[6a]2C)(H)3	109.3850	0.000	1	109.3850	0.000	1	109.5295	0.264	4	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C(CC[6a]2C)(CHHP)(H)2	C(CC[6a]2C)(H)3	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C(CC[6a]2C)(CHHP)(H)2	C(CC[6a]2C)(H)3	109.9345	0.008	2	109.9345	0.000	2	109.5295	0.264	4	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:N[5]-3:C-4:C-4:	C-4:C[5]-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	C(CC[6a]N[5]C)(H)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5]HH)(CH3)	C(CC[6a]N[5]C)(C[5]C[5]2Rh)(H)2	C(CC[6a]N[5]C)(H)3	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	109.1278	2.601	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C(CC[5a]C[6a]C)(CH3)(H)2	C(CC[5a]C[6a]C)(NHS)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C(CC[5a]C[6a]C)(CH3)(H)2	C(CC[5a]C[6a]C)(NHS)(H)2	109.1755	0.643	2	109.1755	0.413	2	109.1755	0.413	2	109.1755	0.413	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C-3:C-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]O)2(CCHH)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CC[5a]O)2(CCHH)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	110.9580	0.000	1	110.9580	0.000	1	110.9580	0.000	1	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]N[5])2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5])2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	110.3555	2.524	2	110.3555	6.369	2	110.3555	6.369	2	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]N[5a])2(CCHH)2	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)2	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(CH3)(H)2	109.7455	1.733	43	109.7455	3.005	43	110.4714	3.217	66	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]O[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	112.7124	0.793	8	112.7124	0.628	8	110.4714	3.217	66	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	111.4229	0.560	10	111.4229	0.313	10	110.4714	3.217	66	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CCHH)(H)2	C(CC[5a]2C)(CH3)(H)2	110.9965	0.838	2	110.9965	0.702	2	110.4714	3.217	66	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CC[5a]2C)(CH3)(H)2	C(CC[5a]2C)(CH3)(H)2	111.3770	0.231	3	111.3770	0.053	3	110.4714	3.217	66	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]N[6])2(CCHH)2	C(CC[6]2C)(CCHH)(H)2	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)2	C(CC[6]2C)(CCHH)(H)2	C(CC[6]2C)(CCHH)(H)2	108.5000	0.000	1	108.5000	0.000	1	108.5000	0.000	1	110.4468	3.183	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[6a]-3:O-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(OCr2)(CC3)2	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OCr2)(CC3)2	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	117.6045	0.115	2	117.6045	0.013	2	116.7138	1.066	4	116.7138	1.066	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[6a]-3:O-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(OLiZn)(CC3)2	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OLiZn)(CC3)2	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	115.8230	0.109	2	115.8230	0.012	2	116.7138	1.066	4	116.7138	1.066	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	3:4:1:1:	4:1:1:1:	C[5a]-3:C-4:C-3:C-4:	B[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C(B[5]O[5]2)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C(B[5]O[5]2)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.0685	0.002	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:N-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(NC[6a]H)(CH3)	C(C[6a]C[6a]N[6a])(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0685	0.002	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CN[5a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	3:4:3:1:	4:1:1:1:	N[6]-3:C-4:C-3:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	C(CN[6]CC)(H)3	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.9750	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC[6a]CC)(H)3	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:O-3:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	C(CC[6a]CO)(CC[6a]O)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(ONi2)(CH3)	C(CC[6a]CO)(CC[6a]O)(H)2	C(CC[6a]CO)(H)3	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:O-3:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)2(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(CC[6]CO)2(H)2	C(CC[6]CO)(H)3	106.5745	0.759	2	106.5745	0.576	2	106.5947	0.289	3	106.5947	0.289	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:3:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:O-3:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(CC[6]OO)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(CC[6]CO)(CC[6]OO)(H)2	C(CC[6]CO)(H)3	106.6350	0.000	1	106.6350	0.000	1	106.5947	0.289	3	106.5947	0.289	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	2:4:1:1:	4:4:4:1:	N-3:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(OC[6])(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(OC[6])(CCHN)(H)2	C(CCHN)(CH3)2(H)	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CCH)(H)2	112.9985	0.252	2	112.9985	0.064	2	112.8973	0.063	3	112.4380	0.886	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CN[5]O)(H)2	112.6950	0.000	1	112.6950	0.000	1	112.8973	0.063	3	112.4380	0.886	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(NCC)(H)2	111.0600	0.000	1	111.0600	0.000	1	111.0600	0.000	1	112.4380	0.886	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CH3)(H)2	112.4418	0.768	18	112.4418	0.590	18	112.5345	0.721	19	112.5323	0.683	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	C(CC[6a]CH)(CH3)(H)2	114.2030	0.000	1	114.2030	0.000	1	112.5345	0.721	19	112.5323	0.683	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	Si-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(SiC[6a]CC)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CSiHH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(SiC[6a]CC)(CC[6a]CH)(H)2	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	112.5323	0.683	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:2:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(OH)	C(CC[6a]CH)(CH3)2(H)	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:3:	3:4:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(N[5]C[5]N[5])(CC[6a]2N)(CC[6a]HH)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	115.8797	0.055	3	115.8797	0.003	3	115.8797	0.003	3	115.8797	0.003	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:3:4:3:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:H-1:H-1:H-1:	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CC[6a]2N)(CH3)(H)	C(C[6a]C[6a]2)2(CN[5]CH)(NCH)	C(CN[5]CH)(H)3	116.2615	0.760	2	116.2615	0.578	2	116.2615	0.578	2	116.2615	0.578	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	3:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[5a]C[5a,6a]O[5a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	C(C[6a]C[6a]2)(CC[5a]CH)(H)2	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	111.9760	0.146	2	111.9760	0.021	2	109.7447	1.134	18	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	109.7960	0.549	2	109.7960	0.301	2	109.7447	1.134	18	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	109.4186	0.759	14	109.4186	0.577	14	109.7447	1.134	18	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(CN[5]CH)(H)2(O)	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(CN[5]CH)(H)2(O)	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(CN[5]CH)(H)3	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(CN[5]CH)(H)3	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(CN[5a]CH)(Cl)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CClHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(CN[5a]CH)(Cl)(H)2	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	110.3592	2.836	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(OH)(H)2	110.7190	2.297	2	110.7190	5.275	2	110.7190	5.275	2	112.2633	2.545	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(H)2	C(CN[5]CH)(OH)(H)2	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	112.2633	2.545	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(CN[5a]CH)(OH)(H)2	112.4812	1.416	5	112.4812	2.004	5	112.4812	2.004	5	112.2633	2.545	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:2:1:1:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	C(CN[6]CH)(OH)(H)2	113.4450	0.000	1	113.4450	0.000	1	113.4450	0.000	1	112.2633	2.545	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C(CB[5]CH)(NCC)(H)2	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NCC)(H)2	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NCC)(H)2	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]C[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(NOO)(H)2	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CNO)(H)2	111.1240	0.806	2	111.1240	0.650	2	111.1240	0.650	2	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CNO)(H)2	109.8787	1.009	4	109.8787	1.018	4	110.0027	0.716	6	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CN[5]O)(H)2	110.6650	0.000	1	110.6650	0.000	1	110.0027	0.716	6	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CCH)(H)2	109.8360	0.000	1	109.8360	0.000	1	110.0027	0.716	6	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NCH)(H)2	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	110.1223	1.423	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(CC[5]CH)(CCHH)(H)2	111.5173	0.484	3	111.5173	0.234	3	111.5173	0.234	3	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Br)(H)	C(CC[6a]CH)(CHHO)(H)2	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(Cl)(H)	C(CC[6a]CH)(CHHO)(H)2	112.2005	1.350	2	112.2005	1.822	2	112.2005	1.822	2	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:S-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]FH)(CHHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(F)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	107.7200	0.000	1	107.7200	0.000	1	107.7200	0.000	1	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CCHH)(H)2	111.3110	0.425	3	111.3110	0.180	3	110.3782	1.804	5	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CHHN)(H)2	109.3840	0.000	1	109.3840	0.000	1	110.3782	1.804	5	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	108.5740	0.000	1	108.5740	0.000	1	110.3782	1.804	5	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CH)(H)2	C(CC[6a]CH)(CCHH)(H)2	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	N-3:C-4:C-4:H-1:	C-3:C-4:Cl-1:H-1:	S-4:C-4:F-1:F-1:	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	C(SC[6a]OO)(CCHN)(F)2	C(NC[6a]H)(CClCH)(CFFS)(H)	C(CC[6a]O)(CCHN)(Cl)(H)	C(SC[6a]OO)(CCHN)(F)2	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:1:1:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(F)2	C(CN[5a]CH)(CH3)(H)2	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	111.2001	3.065	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:2:1:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(C[5]C[5]2)(CC[5]CH)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:4:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]N[6a])(CN[5]CH)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	114.1820	2.591	2	114.1820	6.712	2	114.1820	6.712	2	114.2977	3.396	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:4:1:	N[5]-3:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(CN[5]CH)(CH3)2(H)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(CN[5]CH)(CH3)2(H)	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	114.2977	3.396	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:1:1:	4:4:4:4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(CH3)3	112.4843	1.389	3	112.4843	1.928	3	112.4843	1.928	3	112.4843	1.928	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	3:4:1:1:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a,6a]N[5a])(CC[6a]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(OH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	111.7710	0.119	2	111.7710	0.014	2	111.7710	0.014	2	111.7710	0.014	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CN[5]O)(CCHO)(CF3)(H)	C(CC[6a]O)(CCCH)(OSi)(H)	C(CCCH)(F)3	C(CN[5]O)(CCHO)(CF3)(H)	C(CC[6a]O)(CCCH)(OSi)(H)	C(CCCH)(F)3	112.5630	0.205	2	112.5630	0.042	2	112.5630	0.042	2	112.9347	0.435	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(CN[5]CH)(H)3	113.6780	0.000	1	113.6780	0.000	1	113.6780	0.000	1	112.9347	0.435	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(CN)(H)2	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	109.7713	3.101	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(OH)(H)2	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	109.7713	3.101	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[6a]HO)(CHHO)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OC)(H)	C(CN[5]CH)(OC)(H)2	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	109.7713	3.101	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-3:C-4:S-2:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[5]HS)(CHHN)(H)	C(C[5]N[5]O[5])(CC[6a]CH)(SC[6a])(H)	C(CC[6a]CH)(NOO)(H)2	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	109.0260	9.155	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(NCS)(H)2	112.0150	0.000	1	112.0150	0.000	1	110.5565	4.254	2	109.0260	9.155	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(NCH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(NCH)(H)2	109.0980	0.000	1	109.0980	0.000	1	110.5565	4.254	2	109.0260	9.155	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(CC[6a]HH)(CB[5]CH)(H)2	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.8490	0.012	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:4:1:1:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(CC[6]CH)(CCHH)(H)2	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.8490	0.012	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:4:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(CC[6a]CH)(CH3)(OH)(H)	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:4:3:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:N-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(CC[6a]CH)(CCHH)(NHS)(H)	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:1:	4:4:4:2:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(CH3)2(OC)	112.1693	0.144	3	112.1693	0.021	3	112.1693	0.021	3	112.1693	0.021	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:2:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:S-2:C-3:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(COO)	C(CC[6a]CH)(CC[6a]O)(H)2	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	3:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	3:4:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.7170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(CCC)(H)	C(CC[5a]CH)(H)3	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.8228	0.886	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C(CC[6]CH)(H)3	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCC)(H)	C(CC[6]CH)(H)3	112.6580	0.000	1	112.6580	0.000	1	112.6580	0.000	1	111.8228	0.886	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(H)3	110.7710	0.000	1	110.7710	0.000	1	111.2000	0.995	3	111.8228	0.886	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	C(CC[6a]CH)(H)3	111.4145	1.309	2	111.4145	1.713	2	111.2000	0.995	3	111.8228	0.886	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(NHS)(H)	C(CN[5]CH)(H)3	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	111.8228	0.886	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:2:1:1:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(CC[5a]CH)(OH)(H)2	C(C[5a]N[5a]S[5a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NCH)(H)	C(CC[5a]CH)(OH)(H)2	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	111.5965	0.158	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HN)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(OH)(H)2	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.5965	0.158	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:2:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-2:C-2:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(CN)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(CN)2(H)	110.2820	0.464	2	110.2820	0.215	2	110.2820	0.215	2	110.2820	0.215	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(CC[6a]CH)(CNO)(H)2	111.9940	0.000	1	111.9940	0.000	1	109.5592	4.347	5	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[3]O)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	109.4825	0.059	2	109.4825	0.003	2	109.5592	4.347	5	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(CC[6a]CH)(COO)(H)2	108.4185	2.973	2	108.4185	8.841	2	109.5592	4.347	5	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	109.5610	0.000	1	109.5610	0.000	1	108.5647	0.781	3	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(NOO)(H)2	108.2580	0.000	1	108.2580	0.000	1	108.5647	0.781	3	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]O)(H)	C(CC[6a]CH)(NOO)(H)2	107.8750	0.000	1	107.8750	0.000	1	108.5647	0.781	3	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:F-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]FN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NOO)(F)	C(CC[6a]CH)(NOO)(H)2	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NC[6a]O)(H)	C(CC[6a]CH)(COO)(H)2	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHH)(H)	C(CC[6a]CH)(NHS)(H)2	110.6480	0.000	1	110.6480	0.000	1	110.6480	0.000	1	109.1942	2.590	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5a]CH)(NHH)(H)	C(CC[5a]CH)(CCHH)(H)2	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	111.6488	4.506	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(CH3)(H)2	112.8170	0.000	1	112.8170	0.000	1	111.7930	2.097	2	111.6488	4.506	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(H)	C(CC[6a]CH)(CCHH)(H)2	110.7690	0.000	1	110.7690	0.000	1	111.7930	2.097	2	111.6488	4.506	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(CCHH)(H)2	110.9750	3.722	2	110.9750	13.855	2	110.9750	13.855	2	111.6488	4.506	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:1:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	C(CC[6a]CH)(CH3)2(H)	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(CC[6a]CH)(H)3	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OC)	C(CC[6a]CH)(CC[6a]O)(H)2	112.5230	0.000	1	112.5230	0.000	1	109.7776	3.201	5	110.2870	4.118	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OH)	C(CC[6a]CH)(CC[5a]O)(H)2	109.0913	1.062	4	109.0913	1.128	4	109.7776	3.201	5	110.2870	4.118	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	C(CC[6a]CH)(NOO)(H)2	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	110.2870	4.118	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:3:4:	4:4:2:2:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-4:	C-4:C-4:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	C(CC[6a]CH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]O)(CH3)	C(CC[6a]CH)(CCHH)(CN)2	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	3:3:4:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	108.9288	0.414	4	108.9288	0.172	4	109.2460	0.632	5	109.2460	0.632	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	3:3:4:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)2(CC[6a]CH)(H)	110.5150	0.000	1	110.5150	0.000	1	109.2460	0.632	5	109.2460	0.632	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	3:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	109.6495	0.531	2	109.6495	0.282	2	109.6495	0.282	2	109.6495	0.282	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	3:4:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OC)(H)	110.4937	0.524	3	110.4937	0.274	3	110.4937	0.274	3	110.4937	0.274	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCCH)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[6a]O)(CCCH)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(H)	C(CCCH)(H)3	112.1926	0.630	7	112.1926	0.397	7	112.1926	0.397	7	112.4836	4.220	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CF3)(H)	C(CC[6a]CH)(F)3	110.4923	1.227	3	110.4923	1.505	3	110.4923	1.505	3	112.4836	4.220	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(H)3	111.9305	0.508	2	111.9305	0.258	2	111.9305	0.258	2	112.4836	4.220	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(NC[6a]H)(CCHN)(CH3)(H)	C(NC[6a]H)(CCHN)(CH3)(H)	C(CCHN)(H)3	113.4020	0.877	3	113.4020	0.769	3	113.4020	0.769	3	112.4836	4.220	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:1:1:1:	S[6]-3:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CS[6]CH)(H)3	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CS[6]CH)(H)3	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	112.4836	4.220	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	110.2875	0.111	2	110.2875	0.012	2	110.2875	0.012	2	110.2875	0.012	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:2:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(CC[6a]CH)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHOO)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CC[6a]CH)(H)	C(CC[6a]CH)(OC)2(H)	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CB[5]CH)(CNO)(H)2	111.0990	0.173	3	111.0990	0.030	3	111.0990	0.030	3	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCO)(H)2	110.8240	0.000	1	110.8240	0.000	1	110.8703	0.695	3	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	110.8935	1.177	2	110.8935	1.386	2	110.8703	0.695	3	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CC[6a]CH)(NOO)(H)2	109.2760	0.000	1	109.2760	0.000	1	111.3306	4.286	5	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	110.1540	0.653	2	110.1540	0.427	2	111.3306	4.286	5	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CC[6a]HH)(H)	C(CC[6a]CH)(NOO)(H)2	113.5345	0.112	2	113.5345	0.013	2	111.3306	4.286	5	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CC[6a]HS)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a]OO)(H)	C(CC[6a]CH)(CNO)(H)2	112.8910	0.000	1	112.8910	0.000	1	112.8910	0.000	1	111.2877	1.982	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:1:1:	C-3:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	112.3370	1.172	3	112.3370	1.374	3	112.3370	1.374	3	112.7436	2.379	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	C(CC[5a]CH)(CH3)(H)2	113.9960	0.314	3	113.9960	0.098	3	113.9960	0.098	3	112.7436	2.379	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(CCFF)(H)2	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	112.7436	2.379	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	C(CC[6a]CH)(CH3)(H)2	112.9433	1.205	4	112.9433	1.452	4	112.9433	1.452	4	112.7436	2.379	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:2:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHN)(H)	C(CC[6a]CH)(CF3)(OH)(H)	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:4:1:	S[6]-3:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(CS[6]CH)(CH3)2(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CH3)(H)	C(CS[6]CH)(CH3)2(H)	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:1:	4:4:4:4:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	113.7475	0.190	2	113.7475	0.036	2	113.7475	0.036	2	113.7475	0.036	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	3:4:1:1:	C[6a]-3:C-4:C-4:F-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CF)(H)2	112.1605	0.653	2	112.1605	0.426	2	112.1605	0.426	2	113.7583	3.706	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	3:4:1:1:	N[5a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CN[5a]CH)(H)2	115.3560	0.694	2	115.3560	0.482	2	115.3560	0.482	2	113.7583	3.706	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CH)(H)3	112.2900	0.000	1	112.2900	0.000	1	111.7870	0.255	4	111.7870	0.255	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(CC[6a]CH)(H)3	111.3630	0.000	1	111.3630	0.000	1	111.7870	0.255	4	111.7870	0.255	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(CC[6a]CH)(H)3	111.3410	0.000	1	111.3410	0.000	1	111.7870	0.255	4	111.7870	0.255	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(CC[6a]CH)(H)3	112.1540	0.000	1	112.1540	0.000	1	111.7870	0.255	4	111.7870	0.255	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(CC[6a]CH)(CHHO)(H)2	113.4645	1.524	2	113.4645	2.322	2	113.4645	2.322	2	113.4645	2.322	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(CC[6a]CH)(H)3	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:3:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	C(CC[6a]CH)(CC3)(H)2	113.6760	2.396	2	113.6760	5.739	2	113.6760	5.739	2	113.6760	5.739	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	3:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NC[6a]Al)(CCCN)(CH3)(H)	C(NC[6a]Al)(CCHN)(CH3)2	C(CCHN)(H)3	C(NC[6a]Al)(CCCN)(CH3)(H)	C(NC[6a]Al)(CCHN)(CH3)2	C(CCHN)(H)3	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	119.2810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[5]C)(CH3)2(H)	C(CBCH)(H)3	C(CBCH)(H)3	C(BC[5]C)(CH3)2(H)	C(CBCH)(H)3	C(CBCH)(H)3	110.1920	0.923	2	110.1920	0.853	2	110.1920	0.853	2	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	C(CC[6a]O)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	C(CCCH)(H)3	C(CN[5]O)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	C(CCCH)(H)3	112.7060	0.000	1	112.7060	0.000	1	112.7060	0.000	1	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CAlH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4990	0.000	1	109.4990	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5,6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.1140	0.000	1	111.1140	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6500	0.836	2	110.6500	0.699	2	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4001	0.598	10	110.4001	0.357	10	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.6872	0.412	5	111.6872	0.170	5	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]2)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]2)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	112.6415	1.449	6	112.6415	2.100	6	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[5])(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]C[5])(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.9920	0.035	3	110.9920	0.001	3	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.8390	0.000	1	109.8390	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.9820	0.768	6	110.9820	0.590	6	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6,6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.5353	0.393	3	109.5353	0.154	3	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3215	0.738	4	110.3215	0.545	4	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]N)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]N)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	112.2290	0.000	1	112.2290	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.2046	0.504	10	111.2046	0.254	10	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4785	0.525	2	110.4785	0.276	2	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]Fe)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]Fe)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.7510	0.000	1	108.7510	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]N)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.1032	0.875	6	111.1032	0.765	6	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8688	1.090	15	110.8688	1.189	15	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CMoC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	114.5890	0.000	1	114.5890	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5]C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.0650	0.197	2	111.0650	0.039	2	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.0802	1.068	5	111.0802	1.140	5	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CRhO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5880	0.000	1	111.5880	0.000	1	111.0016	1.212	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.4250	0.000	1	111.4250	0.000	1	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.7170	0.000	1	109.7170	0.000	1	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.3582	0.576	5	110.3582	0.331	5	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.8930	0.000	1	109.8930	0.000	1	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.7139	0.621	8	110.7139	0.386	8	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.8611	0.827	16	110.8611	0.683	16	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.5542	1.563	306	110.5542	2.442	306	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.0100	0.000	1	111.0100	0.000	1	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5]2)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.2608	0.814	14	111.2608	0.663	14	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]P[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5]P[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.0185	1.205	8	110.0185	1.451	8	110.5837	2.197	361	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a]N[5a])(CF3)2(F)	C(CC[5a]CF)(F)3	C(CC[5a]CF)(F)3	C(C[5a]C[5a]N[5a])(CF3)2(F)	C(CC[5a]CF)(F)3	C(CC[5a]CF)(F)3	112.7104	0.541	7	112.7104	0.293	7	112.7104	0.293	7	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a,5a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.9440	0.000	1	110.9440	0.000	1	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a,6])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.9900	0.870	2	110.9900	0.756	2	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	111.8848	0.997	15	111.8848	0.994	15	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	111.2000	0.000	1	111.2000	0.000	1	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.3510	0.000	1	110.3510	0.000	1	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.6938	0.583	10	110.6938	0.340	10	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.8689	2.211	67	110.8689	4.889	67	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	110.7841	0.524	11	110.7841	0.275	11	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]N[5a]2)(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	111.0960	0.637	14	111.0960	0.405	14	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]O[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]N[5a]O[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	111.7820	0.513	3	111.7820	0.263	3	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	C(C[5a]N[5a]S[5a])(CH3)2(H)	C(CC[5a]CH)(H)3	C(CC[5a]CH)(H)3	111.1050	0.000	1	111.1050	0.000	1	111.0184	2.926	126	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	110.0575	0.006	2	110.0575	0.000	2	110.5661	16.819	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	110.6444	4.424	13	110.6444	19.573	13	110.5661	16.819	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)2(C)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(C)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	113.0200	0.000	1	113.0200	0.000	1	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.7337	1.008	6	110.7337	1.015	6	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.0030	0.000	1	110.0030	0.000	1	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.8911	0.848	7	110.8911	0.720	7	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.1819	1.186	201	110.1819	1.406	201	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.7108	4.374	29	111.7108	19.132	29	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.2120	0.570	2	111.2120	0.325	2	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[6]2)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.6888	1.200	5	110.6888	1.440	5	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[6]O[6])(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	112.1410	0.000	1	112.1410	0.000	1	110.4262	3.594	253	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(F)	C(CC[6a]CF)(F)3	C(CC[6a]CF)(F)3	C(C[6a]C[6a]2)(CF3)2(F)	C(CC[6a]CF)(F)3	C(CC[6a]CF)(F)3	112.0812	0.920	4	112.0812	0.846	4	112.0812	0.846	4	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	110.2650	1.049	5	110.2650	1.101	5	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.8165	4.721	13	111.8165	22.289	13	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.0460	0.704	3	111.0460	0.496	3	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.8672	1.126	5	111.8672	1.268	5	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	110.9146	1.146	27	110.9146	1.314	27	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.1660	0.656	2	111.1660	0.431	2	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	110.3766	1.941	29	110.3766	3.767	29	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	110.2047	1.295	18169	110.2047	1.678	18169	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.5364	1.791	16	111.5364	3.209	16	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]O[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.3780	0.366	3	111.3780	0.134	3	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	112.2632	2.113	4	112.2632	4.465	4	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]N[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CH3)2(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.4990	0.000	1	111.4990	0.000	1	110.2098	1.701	18277	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(O)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(O)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	109.2533	0.488	7	109.2533	0.239	7	109.2533	0.239	7	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	Ga-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	C(CGaCH)(H)3	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	C(CGaCH)(H)3	111.8630	1.932	2	111.8630	3.732	2	111.8630	3.732	2	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NAlC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.9194	0.756	64	110.9194	0.571	64	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NAlP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.5820	0.406	2	110.5820	0.165	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NAuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1875	0.049	2	112.1875	0.002	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[3,3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8561	2.247	34	111.8561	5.048	34	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[4,4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1675	0.054	2	111.1675	0.003	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.9887	1.318	12	111.9887	1.737	12	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.4833	1.358	23	111.4833	1.845	23	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[6,6]C[4])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.0420	0.000	1	113.0420	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[6,6]C[5a])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1590	0.000	1	111.1590	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[6]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.5446	1.186	14	110.5446	1.406	14	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[6a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.9980	0.305	2	111.9980	0.093	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.4625	1.111	136	112.4625	1.233	136	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2366	1.471	26	111.2366	2.165	26	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[4]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.4665	0.846	2	111.4665	0.716	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[4a]O)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.8510	0.000	1	112.8510	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Al)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5]Al)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5330	0.000	1	111.5330	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5]B)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8040	0.511	2	111.8040	0.261	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5194	1.663	19	111.5194	2.765	19	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1627	0.808	14	112.1627	0.653	14	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1977	1.254	4	111.1977	1.572	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5a]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.6620	1.028	4	111.6620	1.056	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5a]N)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.3530	0.000	1	113.3530	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[5a]S)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.4720	0.049	2	111.4720	0.002	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]B)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.8020	0.000	1	110.8020	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.5318	0.892	4	110.5318	0.796	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]Cu)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]Cu)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.0430	0.000	1	111.0430	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5370	1.292	9	111.5370	1.670	9	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]Ta)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]Ta)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9680	0.000	1	109.9680	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]W)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]W)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.3550	0.000	1	111.3550	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]2)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4685	1.091	2	110.4685	1.190	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.7339	2.272	45	111.7339	5.160	45	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]C[6])(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.0615	0.712	2	112.0615	0.507	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Ca)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]Ca)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.6560	0.000	1	109.6560	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8974	0.922	28	111.8974	0.850	28	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Sb)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]Sb)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3975	1.266	6	110.3975	1.602	6	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Zn)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]Zn)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.0038	0.262	5	111.0038	0.068	5	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.5665	1.150	2	109.5665	1.324	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1644	1.015	32	110.1644	1.030	32	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCoC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8065	2.413	28	111.8065	5.823	28	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.0070	1.445	40	112.0070	2.088	40	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4317	0.582	16	110.4317	0.338	16	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.0796	1.150	30	111.0796	1.321	30	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCuP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.6710	0.000	1	109.6710	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NDyC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NDyC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4915	0.718	14	110.4915	0.515	14	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NErC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NErC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9480	0.513	9	109.9480	0.263	9	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NFeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.6648	0.777	28	110.6648	0.604	28	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NFeP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4496	0.787	26	110.4496	0.619	26	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NGaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3980	0.519	2	110.3980	0.269	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NGdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.7021	0.756	11	110.7021	0.572	11	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NGeC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1894	2.078	10	111.1894	4.319	10	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHfC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NHfC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.7210	1.037	45	110.7210	1.075	45	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHfP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NHfP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.6730	0.000	1	110.6730	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NIrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3938	1.133	64	110.3938	1.284	64	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NIrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4250	0.000	1	110.4250	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1956	0.854	8	110.1956	0.730	8	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3715	0.415	4	110.3715	0.172	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMgC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.7348	1.655	27	110.7348	2.740	27	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgSi)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMgSi)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.7393	0.740	3	109.7393	0.548	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1260	0.986	2	112.1260	0.972	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMnP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.2420	0.303	3	110.2420	0.092	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMoC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4466	0.627	25	110.4466	0.393	25	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNb[3,3]P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.3400	0.000	1	112.3400	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9187	0.674	14	109.9187	0.455	14	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNdP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNdP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2643	1.146	6	111.2643	1.314	6	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	114.6920	2.407	3	114.6920	5.795	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.0640	1.106	3	110.0640	1.223	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[3]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1905	0.258	2	112.1905	0.067	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.4880	0.721	9	111.4880	0.520	9	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.9549	0.682	8	111.9549	0.465	8	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[5]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.7790	0.000	1	111.7790	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[6,6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.8180	0.513	4	110.8180	0.264	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NP[6]H)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.7863	0.479	13	111.7863	0.229	13	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NPdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2285	1.429	21	111.2285	2.042	21	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NRhC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8805	1.293	4	111.8805	1.672	4	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NRhP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1530	0.000	1	110.1530	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NRuC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5505	1.911	16	111.5505	3.652	16	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSbC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.9080	0.000	1	110.9080	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NScC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NScC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9060	0.497	18	109.9060	0.247	18	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.3094	1.043	14	111.3094	1.088	14	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiZn)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSiZn)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.2250	0.000	1	109.2250	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSi[4,5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.0170	0.000	1	110.0170	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSi[4]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1350	1.269	3	111.1350	1.610	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSi[5]C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	114.8819	6.124	8	114.8819	37.508	8	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.0398	1.138	16	111.0398	1.296	16	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9710	1.365	2	109.9710	1.862	2	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NTaC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3810	1.258	46	110.3810	1.583	46	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTaP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NTaP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.2377	0.890	3	112.2377	0.791	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NThC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NThC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.0339	2.603	49	111.0339	6.778	49	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTi2)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NTi2)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.0700	0.000	1	110.0700	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NTiC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.6726	1.447	103	110.6726	2.093	103	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NTiP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.2360	0.000	1	109.2360	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NYbC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NYbC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.2505	0.553	10	110.2505	0.306	10	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZnC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8210	0.919	32	111.8210	0.844	32	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZnP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.9230	0.000	1	110.9230	0.000	1	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZrC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.7157	1.120	60	110.7157	1.253	60	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZrP)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.3520	0.593	3	111.3520	0.352	3	111.1690	2.533	1386	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]C[3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	C(N[3]C[3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	113.4700	0.000	1	113.4700	0.000	1	111.7325	1.469	10	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	C(N[3]Nb[3,3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	111.6940	1.076	2	111.6940	1.158	2	111.7325	1.469	10	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	C(CN[3]CH)(H)3	C(CN[3]CH)(H)3	111.4953	1.201	7	111.4953	1.442	7	111.7325	1.469	10	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4,6,6]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]B[4,6,6]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.7830	0.000	1	111.7830	0.000	1	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.8976	0.883	13	111.8976	0.780	13	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]C[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.7020	0.000	1	111.7020	0.000	1	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	112.1308	0.452	6	112.1308	0.205	6	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]P[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]C[4]P[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	112.0470	0.000	1	112.0470	0.000	1	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Ga[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.3050	0.625	2	111.3050	0.391	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Ga[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	110.9945	0.419	2	110.9945	0.176	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.3937	0.574	16	111.3937	0.330	16	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]In[3x4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]In[3x4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	110.1771	0.467	14	110.1771	0.218	14	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]In[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]In[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	110.8940	0.453	2	110.8940	0.205	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]In[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]In[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.3515	1.117	2	111.3515	1.247	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Nb[3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Nb[3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	112.3950	0.000	1	112.3950	0.000	1	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.6172	0.195	4	111.6172	0.038	4	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4,6]2)(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]P[4,6]2)(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.9440	0.113	2	111.9440	0.013	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.8628	0.648	8	111.8628	0.420	8	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.7392	1.351	25	111.7392	1.826	25	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.9030	0.068	2	111.9030	0.005	2	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.1717	1.140	12	111.1717	1.300	12	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	C(CN[4]CH)(H)3	C(CN[4]CH)(H)3	111.3175	1.081	4	111.3175	1.169	4	111.4502	1.034	118	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]B[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	110.2752	0.388	4	110.2752	0.151	4	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]B[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.3631	1.331	10	112.3631	1.773	10	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.7615	0.921	4	112.7615	0.847	4	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.2090	0.000	1	112.2090	0.000	1	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	113.6328	3.971	4	113.6328	15.765	4	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,6]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	113.2144	2.645	10	113.2144	6.994	10	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.9945	2.081	2	112.9945	4.331	2	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,6a]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	113.6623	1.578	258	113.6623	2.491	258	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5,6a]Se[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	111.9045	0.182	2	111.9045	0.033	2	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.7404	1.396	1183	112.7404	1.948	1183	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.8901	0.902	33	112.8901	0.814	33	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	110.8490	0.795	15	110.8490	0.632	15	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5]S[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.0960	0.000	1	112.0960	0.000	1	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]Ga[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	111.1623	0.699	4	111.1623	0.489	4	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]P[3x5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.7897	0.768	3	112.7897	0.590	3	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]P[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	111.5355	0.961	4	111.5355	0.923	4	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]P[5,6]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	109.7535	0.111	2	109.7535	0.012	2	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]Si[3,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.2030	0.000	1	112.2030	0.000	1	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]Si[5,5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.3430	0.000	1	112.3430	0.000	1	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]Si[5]C[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	110.8310	1.598	3	110.8310	2.554	3	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]Si[5]N[5])(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	111.2640	0.000	1	111.2640	0.000	1	112.8580	2.236	1546	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]B[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]B[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	111.0940	0.918	2	111.0940	0.842	2	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	112.6450	1.307	3	112.6450	1.708	3	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	112.6600	0.000	1	112.6600	0.000	1	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	112.5743	0.207	4	112.5743	0.043	4	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]B[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	114.5260	0.000	1	114.5260	0.000	1	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	112.6500	0.845	44	112.6500	0.713	44	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	112.2561	1.942	18	112.2561	3.773	18	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	113.0984	0.811	10	113.0984	0.657	10	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	110.1070	0.593	2	110.1070	0.351	2	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]N[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CH3)2(H)	C(CN[5a]CH)(H)3	C(CN[5a]CH)(H)3	116.2500	0.000	1	116.2500	0.000	1	112.5844	1.696	86	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.8450	0.728	6	111.8450	0.530	6	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.6005	0.499	2	111.6005	0.249	2	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.6663	0.936	10	111.6663	0.876	10	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	113.2530	0.000	1	113.2530	0.000	1	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	110.9790	0.455	2	110.9790	0.207	2	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	112.5253	0.979	24	112.5253	0.958	24	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	113.5185	3.935	64	113.5185	15.483	64	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	112.4680	0.934	58	112.4680	0.872	58	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	119.2290	8.867	2	119.2290	78.626	2	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	114.1680	0.000	1	114.1680	0.000	1	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.0195	0.357	2	111.0195	0.128	2	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.7929	1.157	10	111.7929	1.338	10	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	112.0560	0.267	2	112.0560	0.071	2	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	115.0530	0.000	1	115.0530	0.000	1	112.7937	7.204	185	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	C(CN[6a]CH)(H)3	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	C(CN[6a]CH)(H)3	C(CN[6a]CH)(H)3	113.6073	1.366	21	113.6073	1.866	21	113.6073	1.866	21	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAl2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OAl2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	118.6119	8.108	20	118.6119	65.735	20	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAlCr)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OAlCr)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.6083	0.690	3	110.6083	0.476	3	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAlNi)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OAlNi)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.1860	0.000	1	110.1860	0.000	1	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a]Ir)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[6a]Ir)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.6150	0.431	2	112.6150	0.186	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OC[6a]Ru)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OC[6a]Ru)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.9495	2.064	2	113.9495	4.260	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCaH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OCaH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.9117	0.527	3	112.9117	0.277	3	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCoH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OCoH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.4994	0.480	5	113.4994	0.230	5	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCu2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OCu2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.2463	1.404	3	110.2463	1.970	3	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ODyC)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(ODyC)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.0015	0.636	2	113.0015	0.404	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OFe2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OFe2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	114.0575	2.276	4	114.0575	5.180	4	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiB)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OLiB)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.7760	0.823	2	110.7760	0.677	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OMgH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OMgH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.8690	0.888	2	111.8690	0.789	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONbSn)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(ONbSn)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.4050	0.173	2	112.4050	0.030	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONiH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(ONiH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.7495	0.390	2	112.7495	0.152	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OPtB)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OPtB)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.1440	1.273	2	112.1440	1.620	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSiZr)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OSiZr)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.2140	0.724	2	112.2140	0.524	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OSn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	114.7624	3.757	5	114.7624	14.113	5	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSnH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OSnH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.9590	0.929	2	112.9590	0.863	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OThH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OThH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.8770	0.000	1	112.8770	0.000	1	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OTi2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OTi2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	117.4962	6.258	6	117.4962	39.166	6	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OTiH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OTiH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.5570	0.000	1	112.5570	0.000	1	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OZn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.8765	0.534	2	111.8765	0.285	2	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZnH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OZnH)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	117.3180	0.000	1	117.3180	0.000	1	114.6948	29.422	75	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(O[4]In[4,3x5]2)(CH3)2(H)	C(CO[4]CH)(H)3	C(CO[4]CH)(H)3	C(O[4]In[4,3x5]2)(CH3)2(H)	C(CO[4]CH)(H)3	C(CO[4]CH)(H)3	112.5325	0.213	4	112.5325	0.045	4	112.5907	0.143	6	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	O[4]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(O[4]In[4]2)(CH3)2(H)	C(CO[4]CH)(H)3	C(CO[4]CH)(H)3	C(O[4]In[4]2)(CH3)2(H)	C(CO[4]CH)(H)3	C(CO[4]CH)(H)3	112.7070	0.734	2	112.7070	0.539	2	112.5907	0.143	6	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(PC[6a]2)(CF3)2(F)	C(CCFP)(F)3	C(CCFP)(F)3	C(PC[6a]2)(CF3)2(F)	C(CCFP)(F)3	C(CCFP)(F)3	109.8515	0.491	2	109.8515	0.242	2	109.8515	0.242	2	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0136	1.835	8	110.0136	3.368	8	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4373	0.997	16	110.4373	0.994	16	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9587	1.339	4	110.9587	1.792	4	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4545	2.463	4	111.4545	6.067	4	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3619	0.987	158	110.3619	0.974	158	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0920	0.000	1	111.0920	0.000	1	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7295	0.694	2	110.7295	0.481	2	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9265	0.660	4	109.9265	0.436	4	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2730	1.073	4	111.2730	1.152	4	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSbP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSbP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6105	0.407	2	110.6105	0.165	2	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4750	0.373	2	110.4750	0.139	2	110.4071	1.139	205	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]As[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.3855	0.308	2	111.3855	0.095	2	111.3480	0.096	4	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]P[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.0050	0.000	1	111.0050	0.000	1	111.3480	0.096	4	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]P[3,5]C[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]P[3,5]C[5])(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.6160	0.000	1	111.6160	0.000	1	111.3480	0.096	4	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]Se[6]2)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]Se[6]2)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.3580	0.000	1	113.3580	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5a]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.0890	0.000	1	113.0890	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]B)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.6737	1.483	3	111.6737	2.201	3	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]Ni)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]Ni)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.3200	0.000	1	112.3200	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]O)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.5570	0.000	1	113.5570	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]Ru)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]Ru)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.3254	3.030	5	112.3254	9.183	5	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCoC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SCoC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.3990	0.993	6	112.3990	0.986	6	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCuC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SCuC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.5634	0.552	7	111.5634	0.305	7	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFe2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SFe2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.9845	0.091	2	111.9845	0.008	2	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SIr2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SIr2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.2492	1.198	9	111.2492	1.435	9	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SMo2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SMo2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	110.7537	1.314	4	110.7537	1.725	4	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SMoC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SMoC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.8580	0.341	4	111.8580	0.116	4	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SN[5]N)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.5110	0.000	1	112.5110	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNi2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SNi2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.0350	0.062	3	112.0350	0.004	3	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SPd2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SPd2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	114.1475	0.336	2	114.1475	0.113	2	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SPdC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SPdC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.4606	0.745	9	112.4606	0.555	9	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SPtC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SPtC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.2810	0.288	2	113.2810	0.083	2	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SReC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SReC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.4650	0.000	1	113.4650	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRh2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SRh2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.2782	5.198	6	113.2782	27.017	6	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRu2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SRu2)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.3639	1.012	9	112.3639	1.025	9	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SSnC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SSnC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.7850	0.000	1	112.7850	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(STaC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(STaC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.2365	0.093	2	111.2365	0.009	2	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(STeC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(STeC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.1765	0.393	4	112.1765	0.155	4	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(STiC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(STiC)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.4820	0.000	1	111.4820	0.000	1	112.1817	3.102	85	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S[3]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[3]Nb[3,3]S[3])(CH3)2(H)	C(CS[3]CH)(H)3	C(CS[3]CH)(H)3	C(S[3]Nb[3,3]S[3])(CH3)2(H)	C(CS[3]CH)(H)3	C(CS[3]CH)(H)3	113.1658	0.446	4	113.1658	0.199	4	113.1658	0.199	4	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[5]C[5,6a]B[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	C(S[5]C[5,6a]B[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	112.7400	0.000	1	112.7400	0.000	1	111.8157	0.558	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[5]In[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	C(S[5]In[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	112.0009	0.671	8	112.0009	0.451	8	111.8157	0.558	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[5]Nb[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	C(S[5]Nb[5,5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	111.2250	0.641	4	111.2250	0.411	4	111.8157	0.558	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[5]Nb[5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	C(S[5]Nb[5]C[5])(CH3)2(H)	C(CS[5]CH)(H)3	C(CS[5]CH)(H)3	111.7940	0.949	2	111.7940	0.900	2	111.8157	0.558	15	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	Se-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeFe2)(CH3)2(H)	C(CSeCH)(H)3	C(CSeCH)(H)3	C(SeFe2)(CH3)2(H)	C(CSeCH)(H)3	C(CSeCH)(H)3	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.2802	0.953	8	109.2802	0.907	8	109.3819	0.760	10	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.7885	0.282	2	109.7885	0.080	2	109.3819	0.760	10	110.5293	2.576	22903	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CC[6]O)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	109.8140	0.000	1	109.8140	0.000	1	110.3555	0.586	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CC[6a]O)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	110.8970	0.000	1	110.8970	0.000	1	110.3555	0.586	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SH)(H)2	C(CCCH)(H)3	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SH)(H)2	C(CCCH)(H)3	112.4310	0.000	1	112.4310	0.000	1	111.1555	1.916	4	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SS)(H)2	C(CCCH)(H)3	C(CN[5]O)(CHHS)(CH3)(H)	C(CCCH)(SS)(H)2	C(CCCH)(H)3	110.7303	1.338	3	110.7303	1.789	3	111.1555	1.916	4	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	C(CC[5]CH)(H)3	110.8846	0.941	5	110.8846	0.885	5	110.8846	0.885	5	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	C(CC[5a]CH)(H)3	107.0100	0.000	1	107.0100	0.000	1	109.6683	5.528	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OS)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OS)(H)2	C(CC[5a]CH)(H)3	110.5200	0.000	1	110.5200	0.000	1	109.6683	5.528	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a]S[5a])(CHHO)(CH3)(H)	C(CC[5a]CH)(OC)(H)2	C(CC[5a]CH)(H)3	111.4750	0.000	1	111.4750	0.000	1	109.6683	5.528	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:Br-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(NN)(H)2	C(CC[6]BrC)(H)3	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	C(CC[6]BrC)(NN)(H)2	C(CC[6]BrC)(H)3	112.8070	0.000	1	112.8070	0.000	1	112.8070	0.000	1	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C(CC[6]CH)(OSi)(H)2	C(CC[6]CH)(H)3	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:F-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	C(CC[6a]CF)(OH)(H)2	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(F)	C(CC[6a]CF)(OH)(H)2	C(CC[6a]CF)(H)3	113.5655	1.262	2	113.5655	1.593	2	113.5655	1.593	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:Br-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(BrPt)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBrHH)(CH3)(H)	C(CC[6a]CH)(BrPt)(H)2	C(CC[6a]CH)(H)3	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HEu)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HEu)(H)2	C(CC[6a]CH)(H)3	107.6860	0.000	1	107.6860	0.000	1	108.7364	1.155	5	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HNi)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HNi)(H)2	C(CC[6a]CH)(H)3	109.8430	0.000	1	109.8430	0.000	1	108.7364	1.155	5	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HSm)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HSm)(H)2	C(CC[6a]CH)(H)3	108.1305	0.470	2	108.1305	0.221	2	108.7364	1.155	5	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HYb)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(H)	C(CC[6a]CH)(HYb)(H)2	C(CC[6a]CH)(H)3	109.8920	0.000	1	109.8920	0.000	1	108.7364	1.155	5	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OC)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OC)(H)2	C(CC[6a]CH)(H)3	106.7450	0.000	1	106.7450	0.000	1	109.5850	7.560	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OH)(H)2	C(CC[6a]CH)(H)3	112.2340	0.000	1	112.2340	0.000	1	109.5850	7.560	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OS)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(H)	C(CC[6a]CH)(OS)(H)2	C(CC[6a]CH)(H)3	109.7760	0.000	1	109.7760	0.000	1	109.5850	7.560	3	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CHHO)(CH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	110.9435	1.059	2	110.9435	1.121	2	110.9435	1.121	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	C(CN[5]CH)(OH)(H)2	C(CN[5]CH)(H)3	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(OH)(H)2	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CHHO)(CH3)(H)	C(CN[5a]CH)(OH)(H)2	C(CN[5a]CH)(H)3	112.4910	0.864	2	112.4910	0.747	2	112.4910	0.747	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	C(CN[6]CH)(H)3	109.8640	0.100	2	109.8640	0.010	2	109.8640	0.010	2	110.4340	3.515	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN)(H)2	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN)(H)2	C(CC[6a]CH)(CN)(H)2	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	111.1803	1.678	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:2:1:1:	N-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	C(NC[6]2)(CHHO)2(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	110.8345	0.400	2	110.8345	0.160	2	110.8345	0.160	2	111.1803	1.678	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]S[5])(CHHO)2(H)	C(CN[5]CH)(OC[5])(H)2	C(CN[5]CH)(OC)(H)2	113.6370	0.000	1	113.6370	0.000	1	113.6370	0.000	1	111.1803	1.678	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:2:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	C(CN[6]CH)(OH)(H)2	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	C(CN[6]CH)(OH)(H)2	110.2785	0.572	2	110.2785	0.327	2	110.2785	0.327	2	111.1803	1.678	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(CC[6a]CH)(OC)(H)2	C(CC[6a]CH)2(H)2	112.3240	0.000	1	112.3240	0.000	1	112.3240	0.000	1	111.8485	0.389	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(SC[6a])(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CC[6a]CH)(SC[6a])(H)2	C(CC[6a]CH)(CHHO)(H)2	111.9274	0.535	8	111.9274	0.286	8	111.9274	0.286	8	111.8485	0.389	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:1:1:	4:4:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SC[6a])(H)2	C(CN[5a]CH)(SiC3)(H)2	C(N[5a]C[5a]2)(CSiHH)(CHHS)(H)	C(CN[5a]CH)(SC[6a])(H)2	C(CN[5a]CH)(SiC3)(H)2	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	111.8485	0.389	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-2:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a])(CNO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a])(CNO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	113.9650	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:2:4:1:	4:4:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CN[6]CH)(CCHH)(H)2	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	108.7730	0.000	1	108.7730	0.000	1	109.9315	2.684	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCN)(H)2	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCN)(H)2	C(CCCH)(H)3	111.0900	0.000	1	111.0900	0.000	1	109.9315	2.684	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)(O)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)(O)	C(CCCH)(H)3	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	C(CN[5]O)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	111.8770	0.000	1	111.8770	0.000	1	111.8770	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(CCO)(H)2	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(CH3)(H)	C(CC[5,6]CH)(CCO)(H)2	C(CC[5,6]CH)(H)3	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(Cl)3	C(C[5]C[5,6a]C[5])(CCHH)(CCl3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(Cl)3	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(F)3	C(C[5]C[5]2)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(F)3	110.6780	0.127	2	110.6780	0.016	2	110.6780	0.016	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	110.1120	0.000	1	110.1120	0.000	1	109.5160	0.710	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	108.9200	0.000	1	108.9200	0.000	1	109.5160	0.710	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CN[5]O)(H)2	C(CC[5a]CH)(F)3	C(C[5a]C[5a]N[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CN[5]O)(H)2	C(CC[5a]CH)(F)3	109.7250	0.000	1	109.7250	0.000	1	110.2505	0.552	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(F)3	C(C[5a]C[5a]O[5a])(CCHH)(CF3)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(F)3	110.7760	0.000	1	110.7760	0.000	1	110.2505	0.552	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(H)3	111.3040	0.000	1	111.3040	0.000	1	109.9472	0.900	6	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5a]O)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5a]O)(H)2	C(CC[5a]CH)(H)3	109.9715	0.108	2	109.9715	0.012	2	109.9472	0.900	6	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(H)3	108.3850	0.000	1	108.3850	0.000	1	109.9472	0.900	6	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5]O)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[5]O)(H)2	C(CC[5a]CH)(H)3	109.7130	0.000	1	109.7130	0.000	1	109.9472	0.900	6	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CNO)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CNO)(H)2	C(CC[5a]CH)(H)3	110.3380	0.000	1	110.3380	0.000	1	109.9472	0.900	6	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	112.7695	3.656	2	112.7695	13.370	2	112.7695	13.370	2	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C(CC[6]CH)(NCaC)(H)2	C(CC[6]CH)(H)3	110.7375	0.172	4	110.7375	0.030	4	110.7375	0.030	4	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(F)3	108.7780	0.441	2	108.7780	0.195	2	109.1587	0.294	4	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(F)3	109.3070	0.000	1	109.3070	0.000	1	109.1587	0.294	4	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(F)3	109.7720	0.000	1	109.7720	0.000	1	109.1587	0.294	4	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(H)3	110.1610	2.001	2	110.1610	4.004	2	110.9393	1.976	19	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(H)3	111.0050	0.000	1	111.0050	0.000	1	110.9393	1.976	19	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CNO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CNO)(H)2	C(CC[6a]CH)(H)3	109.0180	0.000	1	109.0180	0.000	1	110.9393	1.976	19	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(H)3	109.9200	0.000	1	109.9200	0.000	1	110.9393	1.976	19	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(H)3	111.2558	1.365	14	111.2558	1.862	14	110.9393	1.976	19	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:Br-1:Br-1:Br-1:	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	C(CC[6a]CH)(Br)3	C(C[6a]C[6a]2)(CBr3)(CHHN)(H)	C(CC[6a]CH)(NOO)(H)2	C(CC[6a]CH)(Br)3	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(NCH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(H)	C(CC[6a]CH)(NCH)(H)2	C(CC[6a]CH)(H)3	112.3275	0.457	4	112.3275	0.209	4	112.3275	0.209	4	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	C(CCHN)(H)3	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C(CCHN)(CCN)(H)2	C(CCHN)(H)3	112.4840	0.000	1	112.4840	0.000	1	111.7411	0.651	8	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(H)3	110.1260	0.000	1	110.1260	0.000	1	111.7411	0.651	8	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(H)3	112.0642	0.284	5	112.0642	0.081	5	111.7411	0.651	8	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCHN)(COO)(H)2	C(CCHN)(H)3	110.9980	0.000	1	110.9980	0.000	1	111.7411	0.651	8	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	C(CN[5a]CH)(H)3	111.4060	0.000	1	111.4060	0.000	1	112.3993	0.742	3	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(COO)(H)2	C(CN[5a]CH)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(COO)(H)2	C(CN[5a]CH)(H)3	112.8470	0.000	1	112.8470	0.000	1	112.3993	0.742	3	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	C(CN[5a]CH)(H)3	C(N[5a]N[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CC[6a]O)(H)2	C(CN[5a]CH)(H)3	112.9450	0.000	1	112.9450	0.000	1	112.3993	0.742	3	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	C(CN[6]CH)(H)3	110.1970	0.392	3	110.1970	0.153	3	110.1970	0.153	3	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	C(CN[6]CH)(H)3	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	C(CN[6]CH)(H)3	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9256	1.904	67	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:2:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(OC)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHO)(H)	C(CC[5a]CH)(CCO)(H)2	C(CC[5a]CH)(OC)(H)2	111.9090	0.436	2	111.9090	0.190	2	111.9090	0.190	2	111.0022	3.926	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(NCC)(H)2	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(H)	C(CC[6a]CH)(NCC)(H)2	C(CC[6a]CH)(OH)(H)2	110.3977	2.527	3	110.3977	6.386	3	110.3977	6.386	3	111.0022	3.926	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5,6]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CCO)(H)2	C(CC[5,6]O)(CCHH)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CCO)(H)2	112.6000	0.000	1	112.6000	0.000	1	111.5090	2.381	2	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]N)(CCHH)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CCH)(H)2	C(CC[6a]N)(CCHH)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CCH)(H)2	110.4180	0.000	1	110.4180	0.000	1	111.5090	2.381	2	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(CC[6a]O)(H)2	110.2850	0.000	1	110.2850	0.000	1	112.0347	3.668	3	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]N)(H)2	C(CC[5a]CH)(CCO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]N)(H)2	C(CC[5a]CH)(CCO)(H)2	114.0810	0.000	1	114.0810	0.000	1	112.0347	3.668	3	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CC[6a]O)(H)2	C(CC[5a]CH)(CC[6a]O)(H)2	111.7380	0.000	1	111.7380	0.000	1	112.0347	3.668	3	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CClCH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(Cl)(H)	C(CC[6a]CH)(NOO)(H)2	108.7510	0.000	1	108.7510	0.000	1	108.7510	0.000	1	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCC)(H)2	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCC)(H)2	C(CC[6a]CH)(CCO)(H)2	111.1700	0.000	1	111.1700	0.000	1	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(COS)(H)2	110.1520	0.000	1	110.1520	0.000	1	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(CC[5a]O)(H)2	110.2877	1.027	3	110.2877	1.056	3	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	110.2400	0.000	1	110.2400	0.000	1	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]C)(H)2	C(CC[6a]CH)(CHO)(H)2	111.6710	0.000	1	111.6710	0.000	1	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]N)(H)2	C(CC[6a]CH)(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]N)(H)2	C(CC[6a]CH)(CC[6a]N)(H)2	109.5443	0.471	3	109.5443	0.222	3	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	110.6613	1.226	22	110.6613	1.504	22	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(COO)(H)2	110.5910	3.323	2	110.5910	11.045	2	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a]O)(H)2	111.0175	1.083	2	111.0175	1.172	2	110.5693	1.491	36	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(NOO)(H)2	107.3690	0.000	1	107.3690	0.000	1	109.1064	5.686	5	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(NOO)(H)2	112.6720	0.000	1	112.6720	0.000	1	109.1064	5.686	5	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NCS)(H)2	109.3995	1.006	2	109.3995	1.012	2	109.1064	5.686	5	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NOO)(H)2	106.6920	0.000	1	106.6920	0.000	1	109.1064	5.686	5	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:O-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CC[6a]O)(H)(O)	C(CC[6a]CH)(CC[6a]O)(H)2	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]C)(H)2	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]C)(H)2	C(CC[6a]CH)(COO)(H)2	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	N-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	C(CCHN)(NCH)(H)2	C(NC[6a]C)(CHHN)2(H)	C(CCHN)(NCH)(H)2	C(CCHN)(NCH)(H)2	113.1307	0.142	3	113.1307	0.020	3	113.1307	0.020	3	110.6226	2.567	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:2:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(COO)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5a]O)(H)2	C(CC[6a]CH)(COO)(CN)(H)	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.9920	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(COO)2(H)	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	111.3237	1.637	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]2)(H)2	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(NC[6a]2)(H)2	C(CC[6a]CH)(COO)2(H)	111.2355	1.797	2	111.2355	3.228	2	111.2355	3.228	2	111.3237	1.637	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:3:3:2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(COO)2(OC)	C(C[6a]C[6a]2)(CCCO)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(COO)2(OC)	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CCHH)(H)2	109.5230	0.000	1	109.5230	0.000	1	110.8568	2.331	4	111.5666	9.112	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CH3)(H)2	110.5935	1.271	2	110.5935	1.615	2	110.8568	2.331	4	111.5666	9.112	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)2(H)2	112.7170	0.000	1	112.7170	0.000	1	110.8568	2.331	4	111.5666	9.112	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[6a]CH)(NH3)(H)2	111.7160	3.258	19	111.7160	10.613	19	111.7160	10.613	19	111.5666	9.112	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:2:1:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)(NCC)(H)2	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCCH)(NCC)(H)2	C(CCCH)2(OH)(H)	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CN[5]O)(H)2	C(CC[6a]CH)(CH3)2(H)	111.8090	0.051	2	111.8090	0.003	2	111.8090	0.003	2	111.8090	0.003	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:1:1:	4:4:4:4:	C-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(CH3)3	C(CC[6a]O)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(CH3)3	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	112.5450	0.000	1	112.5450	0.000	1	112.4725	0.011	2	111.2146	2.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	112.4000	0.000	1	112.4000	0.000	1	112.4725	0.011	2	111.2146	2.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHO)(CH3)(H)	C(CC[6]CH)(CNO)(OH)(H)	C(CC[6]CH)(H)3	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	111.2146	2.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CNS)(OH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CNS)(OH)(H)	C(CC[6a]CH)(H)3	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	111.2146	2.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NHS)(CN)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NHS)(CN)(H)	C(CC[6a]CH)(H)3	111.0100	2.125	3	111.0100	4.517	3	111.0100	4.517	3	111.2146	2.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(CCH)(OH)(H)	C(CC[6a]CH)(OC)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHO)(H)	C(CC[6a]CH)(CCH)(OH)(H)	C(CC[6a]CH)(OC)(H)2	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	113.4125	10.401	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(COO)(OSi)(H)	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(COO)(OSi)(H)	C(CN[5]CH)(OH)(H)2	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	113.4125	10.401	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:2:1:	4:3:3:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:C-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)(NC)(H)	C(CC[5a]CH)(COO)2(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	C(CC[5a]CH)(COO)(NC)(H)	C(CC[5a]CH)(COO)2(H)	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(COO)2(H)	C(CC[5a]CH)(F)3	C(C[5a]C[5a,6a]C[5a])(CCCH)(CF3)(H)	C(CC[5a]CH)(COO)2(H)	C(CC[5a]CH)(F)3	111.6655	0.136	2	111.6655	0.019	2	111.6655	0.019	2	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(COO)(NHS)(H)	C(CC[5a]CH)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)(H)	C(CC[5a]CH)(COO)(NHS)(H)	C(CC[5a]CH)(H)3	109.6190	0.000	1	109.6190	0.000	1	109.6190	0.000	1	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(H)3	111.3360	0.000	1	111.3360	0.000	1	111.0624	1.060	5	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(H)3	110.3250	1.155	2	110.3250	1.335	2	111.0624	1.060	5	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(H)3	111.6630	1.011	2	111.6630	1.022	2	111.0624	1.060	5	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	C(CCHN)(H)3	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CCO)(COO)(H)	C(CCHN)(H)3	112.4860	0.492	3	112.4860	0.242	3	112.4860	0.242	3	111.4291	1.216	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:F-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(COO)2(F)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCF)(CHHN)(H)	C(CC[6a]CH)(COO)2(F)	C(CC[6a]CH)(NOO)(H)2	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(COO)(H)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)(COO)(H)	C(CC[6a]CH)(CCO)(H)2	114.1670	0.000	1	114.1670	0.000	1	110.5973	7.551	4	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(COO)(H)2	109.8760	0.000	1	109.8760	0.000	1	110.5973	7.551	4	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5]N)(COO)(H)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[5]N)(COO)(H)	C(CC[6a]CH)(CNO)(H)2	110.8060	0.000	1	110.8060	0.000	1	110.5973	7.551	4	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)2(H)	C(CC[6a]CH)(COS)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(COO)2(H)	C(CC[6a]CH)(COS)(H)2	107.5400	0.000	1	107.5400	0.000	1	110.5973	7.551	4	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCC)(COO)(H)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCC)(COO)(H)	C(CC[6a]CH)(NCS)(H)2	111.0930	0.000	1	111.0930	0.000	1	108.8212	6.402	6	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCO)2(H)	C(CC[6a]CH)(NOO)(H)2	107.3730	0.000	1	107.3730	0.000	1	108.8212	6.402	6	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	108.1215	1.513	2	108.1215	2.288	2	108.8212	6.402	6	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(NOO)(H)2	109.1090	4.617	2	109.1090	21.320	2	108.8212	6.402	6	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:F-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(COO)(NOO)(F)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCFN)(CHHN)(H)	C(CC[6a]CH)(COO)(NOO)(F)	C(CC[6a]CH)(NOO)(H)2	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(CC[6a]CH)(NOO)(H)2	108.8920	0.000	1	108.8920	0.000	1	108.2315	0.873	2	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NHH)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(COO)(NHH)(H)	C(CC[6a]CH)(NOO)(H)2	107.5710	0.000	1	107.5710	0.000	1	108.2315	0.873	2	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	109.4982	5.368	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:3:1:	C-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]C)(CCCH)2(H)	C(CCCH)(CCH)2(H)	C(CCCH)(CCH)2(H)	C(CC[6a]C)(CCCH)2(H)	C(CCCH)(CCH)2(H)	C(CCCH)(CCH)2(H)	110.0510	0.000	1	110.0510	0.000	1	110.0510	0.000	1	110.9715	1.695	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:3:3:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	C(CC[6]CH)(COO)2(H)	C(C[6]C[6]2)(CCCH)2(H)	C(CC[6]CH)(COO)2(H)	C(CC[6]CH)(COO)2(H)	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	110.9715	1.695	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCO)(COO)(H)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CC[5a]CH)(CCO)(COO)(H)	C(CC[5a]CH)(CCHH)(H)2	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	111.6077	0.103	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]O)2(H)	C(CC[6a]CH)(CH3)(H)2	111.2370	0.000	1	111.2370	0.000	1	111.2370	0.000	1	111.6077	0.103	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(NNiC)(COO)(H)	C(CC[6a]CH)(CHHO)(H)2	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.6077	0.103	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:4:1:	C-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CCH)2(H)	C(CCCH)(CH3)2(H)	C(CN[5]O)(CCCH)2(H)	C(CCCH)(CCH)2(H)	C(CCCH)(CH3)2(H)	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	112.0593	2.074	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:4:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CCO)(COO)(H)	C(CC[5a]CH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CC[5a]CH)(CCO)(COO)(H)	C(CC[5a]CH)(CH3)2(H)	112.3105	0.101	2	112.3105	0.010	2	112.3105	0.010	2	112.0593	2.074	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:1:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CC[6a]CH)(COO)(NCH)(H)	C(CC[6a]CH)(CH3)2(H)	110.0820	0.000	1	110.0820	0.000	1	110.0820	0.000	1	112.0593	2.074	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:3:3:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:C-3:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCC)(CCO)(COO)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CCC)(CCO)(COO)	C(CC[6a]CH)(CCHH)(H)2	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(CC[6a]CH)(H)3	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	112.4700	10.026	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:4:1:	4:1:1:1:	S-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(CMnO)(CH3)(H)	C(CCHS)(H)3	C(SMnPt)(CCCH)(CH3)(H)	C(CCHS)(CMnO)(CH3)(H)	C(CCHS)(H)3	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	112.4700	10.026	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CC[6a]CH)(NOO)(H)2	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:3:4:1:	4:4:4:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CN[5]CH)(CHHO)(CH3)(H)	115.9500	0.000	1	115.9500	0.000	1	115.9500	0.000	1	115.9500	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.4350	0.000	1	110.4350	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	112.3785	1.406	2	112.3785	1.978	2	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	110.2325	1.798	2	110.2325	3.233	2	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	113.4940	0.000	1	113.4940	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	111.9360	0.000	1	111.9360	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.2293	0.119	4	110.2293	0.014	4	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.8852	0.765	5	110.8852	0.586	5	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	109.3710	0.864	3	109.3710	0.747	3	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	114.4118	3.464	6	114.4118	11.996	6	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	111.7255	0.798	4	111.7255	0.637	4	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.8620	0.000	1	111.8620	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHI)(H)2	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCHI)(H)2	C(CCCH)(H)3	108.0155	0.808	2	108.0155	0.653	2	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.5630	0.000	1	111.5630	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CN[5]O)(CCHH)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	110.5780	0.000	1	110.5780	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CN[6]O)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.3615	0.502	4	111.3615	0.252	4	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]O)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CN[6]O)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(H)3	111.9750	0.000	1	111.9750	0.000	1	111.4198	4.758	39	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,5]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	110.5350	0.000	1	110.5350	0.000	1	110.9216	1.259	8	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,6]O)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	110.9769	1.200	7	110.9769	1.440	7	110.9216	1.259	8	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	110.9635	1.029	6	110.9635	1.059	6	110.7043	1.353	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	109.1490	0.000	1	109.1490	0.000	1	110.7043	1.353	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[3]HO)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[3]HO)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.1125	0.057	2	110.1125	0.003	2	112.2173	3.887	9	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	113.9652	1.507	4	113.9652	2.273	4	112.2173	3.887	9	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.7870	0.000	1	110.7870	0.000	1	112.2173	3.887	9	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	111.1970	0.000	1	111.1970	0.000	1	112.2173	3.887	9	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	111.8860	0.000	1	111.8860	0.000	1	112.2173	3.887	9	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	109.3920	1.843	2	109.3920	3.396	2	109.3920	3.396	2	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6]HH)(H)2	C(CC[5a]CH)(H)3	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(CC[5a]CH)(CC[6]HH)(H)2	C(CC[5a]CH)(H)3	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	111.3790	0.000	1	111.3790	0.000	1	111.3443	2.574	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	109.4030	0.000	1	109.4030	0.000	1	111.3443	2.574	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	112.0640	1.698	4	112.0640	2.885	4	111.3443	2.574	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	110.3720	0.000	1	110.3720	0.000	1	111.3443	2.574	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CBHH)(CH3)(H)	C(BC[6a]C[5]H)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CC[6a]CH)(H)3	113.3680	1.959	2	113.3680	3.836	2	113.3680	3.836	2	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(CC[6a]CH)(F)3	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CC[6a]CH)(H)3	113.7120	0.000	1	113.7120	0.000	1	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(H)3	110.5185	1.360	6	110.5185	1.849	6	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	C(CC[6a]CH)(H)3	114.3470	0.000	1	114.3470	0.000	1	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(CC[6a]CH)(H)3	109.9165	0.486	4	109.9165	0.236	4	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CF3)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CF3)(H)2	C(CC[6a]CH)(H)3	112.0110	0.000	1	112.0110	0.000	1	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(H)3	110.4158	3.442	6	110.4158	11.848	6	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CHHN)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]CH)(CHHN)(H)2	C(CC[6a]CH)(H)3	111.8060	0.000	1	111.8060	0.000	1	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(H)3	97.2020	0.000	1	97.2020	0.000	1	110.2071	13.737	21	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(CC[6a]CH)(H)2(I)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(CC[6a]CH)(H)2(I)	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(H)2	C(CC[6a]CH)(H)3	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(H)	C(CC[6a]CH)(SC[6a]OO)(H)2	C(CC[6a]CH)(H)3	108.8475	0.537	2	108.8475	0.288	2	108.8475	0.288	2	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)(H)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C(CC[6a]CH)(H)3	109.1425	1.172	2	109.1425	1.373	2	109.1425	1.373	2	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:Br-1:H-1:H-1:	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	C(CCHN)(Br)(H)2	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(CCHN)(CHHN)(Br)(H)	C(CCHN)(Br)(H)2	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	113.7450	0.000	1	113.7450	0.000	1	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	110.3840	0.154	2	110.3840	0.024	2	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	112.5400	0.000	1	112.5400	0.000	1	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	111.4595	1.006	4	111.4595	1.011	4	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	111.8030	0.378	2	111.8030	0.143	2	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]C)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	C(CCHN)(H)3	110.6430	0.701	3	110.6430	0.491	3	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.6960	1.126	2	110.6960	1.267	2	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCCS)(CCHN)(H)2	C(CCHN)(H)3	109.0030	0.000	1	109.0030	0.000	1	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]H)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	110.7450	0.314	2	110.7450	0.099	2	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]S)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.5130	0.000	1	109.5130	0.000	1	111.0434	1.400	19	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	C(CN[5]CH)(H)3	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CN[5]CH)(CN[5]HH)(H)2	C(CN[5]CH)(H)3	110.3610	0.000	1	110.3610	0.000	1	112.8390	3.971	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CC[6a]HH)(CN[5]CH)(H)2	C(CN[5]CH)(H)3	112.6655	0.295	2	112.6655	0.087	2	112.8390	3.971	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(H)3	115.9260	0.000	1	115.9260	0.000	1	112.8390	3.971	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(H)3	112.5770	0.000	1	112.5770	0.000	1	112.8390	3.971	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	C(CN[5a]CH)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	C(CN[5a]CH)(H)3	113.7900	0.990	3	113.7900	0.980	3	113.1798	3.288	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	C(CN[5a]CH)(H)3	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CN[5a]CH)(CH3)(H)2	C(CN[5a]CH)(H)3	112.2645	2.898	2	112.2645	8.401	2	113.1798	3.288	5	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CBrHH)(H)2	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CBrHH)(H)2	C(CN[6a]CH)(H)3	112.4190	0.184	2	112.4190	0.034	2	112.8033	0.328	4	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CCHH)(H)2	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CN[6a]CH)(CCHH)(H)2	C(CN[6a]CH)(H)3	113.1875	0.599	2	113.1875	0.359	2	112.8033	0.328	4	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	C(CCHP)(H)3	113.4790	0.000	1	113.4790	0.000	1	112.6394	1.838	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	C(CCHP)(H)3	113.0260	0.000	1	113.0260	0.000	1	112.6394	1.838	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	C(CCHP)(H)3	111.9110	1.916	3	111.9110	3.670	3	112.6394	1.838	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	C(CCHP)(H)3	113.7440	0.000	1	113.7440	0.000	1	112.6394	1.838	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	C(CCHP)(H)3	112.4940	0.000	1	112.4940	0.000	1	112.6394	1.838	7	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHP)(H)3	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:1:1:1:	Se-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(CSeHH)(H)2	C(CSeCH)(H)3	C(SeFe2)(CCHH)(CH3)(H)	C(CSeCH)(CSeHH)(H)2	C(CSeCH)(H)3	119.8330	11.079	2	119.8330	122.743	2	119.8330	122.743	2	111.3908	6.932	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	111.9535	0.259	4	111.9535	0.067	4	111.9535	0.067	4	112.2473	0.273	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(OH)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(OH)(H)2	112.2153	0.501	3	112.2153	0.251	3	112.2153	0.251	3	112.2473	0.273	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CC[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	C(CN[5]CH)(OC)(H)2	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	112.2473	0.273	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:2:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(CH3)(H)2	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CN[6a]CH)(CH3)(H)2	C(CN[6a]CH)(OH)(H)2	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	112.2473	0.273	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	108.1200	0.000	1	108.1200	0.000	1	109.0040	1.563	2	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	109.8880	0.000	1	109.8880	0.000	1	109.0040	1.563	2	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2)(CC[6]HH)(CHHN)(H)	C(C[6]C[6,6]C[6]H)(CC[5]CH)(H)2	C(CC[5]CH)(NOO)(H)2	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(CC[6a]CH)(CC[6a]O)(F)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HH)(H)2	C(CC[6a]CH)(CC[6a]O)(F)2	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]CH)(CCO)(H)2	113.7640	0.000	1	113.7640	0.000	1	112.8763	4.585	6	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CNO)(H)2	112.5650	0.000	1	112.5650	0.000	1	112.8763	4.585	6	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHN)(H)2	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHN)(H)2	C(CC[6a]CH)(CCH)(H)2	113.0130	0.000	1	113.0130	0.000	1	112.8763	4.585	6	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]CC)(H)2	C(CC[6a]CH)(CC[6]O)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]CC)(H)2	C(CC[6a]CH)(CC[6]O)(H)2	113.9160	3.473	2	113.9160	12.064	2	112.8763	4.585	6	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(COO)(H)2	110.0840	0.000	1	110.0840	0.000	1	112.8763	4.585	6	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(NHS)(H)2	110.7800	0.000	1	110.7800	0.000	1	110.7800	0.000	1	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(CC[6a]CH)(COO)(H)2	109.7940	0.266	3	109.7940	0.071	3	109.7940	0.071	3	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[4]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(N[4]C[4]2)(CCHH)2(H)	C(CC[6a]HH)(CN[4]CH)(H)2	C(CN[4]CH)(CC[6a]N)(H)2	C(N[4]C[4]2)(CCHH)2(H)	C(CC[6a]HH)(CN[4]CH)(H)2	C(CN[4]CH)(CC[6a]N)(H)2	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	C(CN[6]CH)(CNO)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	C(CN[6]CH)(CNO)(H)2	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	111.2458	4.583	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C(CC[6]CH)(CNO)(COO)(H)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C(CC[6]CH)(CNO)(COO)(H)	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	109.9950	2.640	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:3:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	C(CC[6a]CH)(CNO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHO)(H)2	C(CC[6a]CH)(CNO)2(H)	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	109.9950	2.640	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(B[5]C[5]O[5])(CCHH)2(H)	C(CB[5]CH)(CCHH)(H)2	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	C(CB[5]CH)(CCHH)(H)2	C(CB[5]CH)(CCHH)(H)2	111.1990	0.000	1	111.1990	0.000	1	111.0057	3.410	3	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CHHO)(H)2	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	C(CB[5]CH)(CHHO)(H)2	C(CB[5]CH)(CC3)(H)2	110.9090	2.601	2	110.9090	6.764	2	111.0057	3.410	3	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C-3:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CCHH)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	C(CC[5a]CH)(CCHH)(H)2	C(CC[5a]CH)(CCHH)(H)2	113.1876	2.622	5	113.1876	6.877	5	112.9878	5.741	6	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CH3)(H)2	C(CC[5a]CH)(CH3)(H)2	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CC[5a]CH)(CH3)(H)2	C(CC[5a]CH)(CH3)(H)2	111.9890	0.000	1	111.9890	0.000	1	112.9878	5.741	6	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:Br-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(CC[6a]BrC)(CHHN)(Br)(H)	C(CC[6a]BrC)(CCHH)(H)2	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(CC[6a]BrC)(CHHN)(Br)(H)	C(CC[6a]BrC)(CCHH)(H)2	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CC[6a]CH)(CCHH)(H)2	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	113.3100	0.000	1	113.3100	0.000	1	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	111.5997	1.370	9	111.5997	1.878	9	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CHHN)(H)2	112.9970	0.000	1	112.9970	0.000	1	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	C(CC[6a]CH)(CC[6a]HO)(H)2	107.3890	0.000	1	107.3890	0.000	1	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[6a]CH)(CH3)(H)2	111.4880	1.156	33	111.4880	1.337	33	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHO)(H)2	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CHHO)(H)2	C(CC[6a]CH)(CH3)(H)2	111.4808	0.447	4	111.4808	0.200	4	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	111.7120	0.000	1	111.7120	0.000	1	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(CF3)(H)2	108.7480	0.000	1	108.7480	0.000	1	111.4428	1.768	51	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(SiC3)(H)2	C(CC[6a]CH)(NH3)(H)2	C(C[6a]C[6a]2)(CSiHH)(CHHN)(H)	C(CC[6a]CH)(SiC3)(H)2	C(CC[6a]CH)(NH3)(H)2	112.6667	3.420	3	112.6667	11.693	3	112.6667	11.693	3	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[6a]CH)(H)2	C(CC[6a]CH)(CH3)(H)2	113.1028	1.152	5	113.1028	1.327	5	113.1028	1.327	5	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[6]HH)(H)2	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CC[6a]CO)(CF3)(F)2	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CC[6a]CO)(CF3)(F)2	C(CC[6a]CO)(CF3)(F)2	109.6983	1.411	3	109.6983	1.991	3	109.6983	1.991	3	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	C(BC[6a]3)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	113.8680	0.529	2	113.8680	0.280	2	113.8680	0.280	2	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	111.7113	1.665	3	111.7113	2.773	3	111.7913	1.874	4	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)2(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	112.0310	0.000	1	112.0310	0.000	1	111.7913	1.874	4	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(H)2	119.9700	0.000	1	119.9700	0.000	1	114.3731	4.572	37	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(H)2	114.3430	1.979	33	114.3430	3.915	33	114.3731	4.572	37	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CN[5]CH)(CH3)(H)2	C(CN[5]CH)(CH3)(H)2	112.8387	0.673	3	112.8387	0.454	3	114.3731	4.572	37	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[5a]C[5a]2)(CCHH)2(H)	C(CN[5a]CH)(CCHH)(H)2	C(CN[5a]CH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)2(H)	C(CN[5a]CH)(CCHH)(H)2	C(CN[5a]CH)(CCHH)(H)2	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHH)(H)2	115.1280	0.789	2	115.1280	0.623	2	117.2132	18.663	12	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHH)(H)2	125.6945	4.067	2	125.6945	16.537	2	117.2132	18.663	12	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	C(CN[6]CH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	C(CN[6]CH)(CH3)(H)2	115.6141	1.470	8	115.6141	2.160	8	117.2132	18.663	12	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CCHH)(H)2	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CCHH)(H)2	C(CN[6a]CH)(CCHH)(H)2	115.6585	2.371	6	115.6585	5.620	6	114.6371	4.199	15	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CH3)(H)2	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CN[6a]CH)(CH3)(H)2	C(CN[6a]CH)(CH3)(H)2	113.9562	1.591	9	113.9562	2.531	9	114.6371	4.199	15	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	C(CCHH)(CCHP)(H)2	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	C(CCHH)(CCHP)(H)2	113.6820	0.682	2	113.6820	0.465	2	113.6820	0.465	2	113.2036	7.605	148	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(SC[5a]OO)(H)2	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CC[6a]CH)(SC[5a]OO)(H)2	C(CC[6a]CH)(CH3)(NOO)(H)	111.0990	3.694	2	111.0990	13.645	2	111.0990	13.645	2	111.0990	13.645	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	112.7040	0.987	2	112.7040	0.974	2	112.7040	0.974	2	113.7754	4.535	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	C(CC[6a]CH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	C(CC[6a]CH)(CHHO)2(H)	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	113.7754	4.535	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	115.7580	0.000	1	115.7580	0.000	1	115.7580	0.000	1	113.7754	4.535	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:4:1:	N[5]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(C[5]C[5]2Ir)(CN[5]CH)(H)2	C(CN[5]CH)(CH3)2(H)	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	113.7754	4.535	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:1:1:	4:4:4:2:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CH3)2(OH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CH3)2(OH)	114.4890	0.000	2	114.4890	0.000	2	114.4890	0.000	2	114.4890	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CC[3]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.5140	0.000	1	111.5140	0.000	1	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CC[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	110.4560	0.000	1	110.4560	0.000	1	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OC)(H)	C(CCCH)(H)3	112.9390	0.000	1	112.9390	0.000	1	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.4580	0.788	2	111.4580	0.620	2	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	113.6430	0.000	1	113.6430	0.000	1	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	113.1213	0.505	3	113.1213	0.255	3	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	110.7170	0.000	2	110.7170	0.000	2	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CN[6]O)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.4965	0.110	2	111.4965	0.012	2	111.9430	1.288	13	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(CC[5]CH)(H)3	110.0230	0.163	2	110.0230	0.026	2	110.0230	0.026	2	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(CC[6]CH)(H)3	112.3780	0.000	1	112.3780	0.000	1	111.9400	0.384	2	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OH)(H)	C(CC[6]CH)(H)3	111.5020	0.000	1	111.5020	0.000	1	111.9400	0.384	2	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:F-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C(CC[6a]CF)(CCHH)(SC)(H)	C(CC[6a]CF)(H)3	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C(CC[6a]CF)(CCHH)(SC)(H)	C(CC[6a]CF)(H)3	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CC[6a]CH)(H)3	109.9680	0.000	1	109.9680	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CC[6a]CH)(H)3	112.1570	0.000	1	112.1570	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CC[6a]CH)(H)3	111.6980	0.000	1	111.6980	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(CC[6a]CH)(H)3	109.8700	0.000	1	109.8700	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OC)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OC)(H)	C(CC[6a]CH)(H)3	111.6200	0.000	1	111.6200	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CC[6a]CH)(CF3)(OH)(H)	C(CC[6a]CH)(H)3	110.4600	0.000	1	110.4600	0.000	1	110.9622	0.967	6	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(PO3)(OH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	C(CC[6a]CH)(PO3)(OH)(H)	C(CC[6a]CH)(H)3	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:Cl-1:Cl-1:H-1:	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(Cl)2(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCl2H)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(Cl)2(H)	109.9483	0.762	4	109.9483	0.581	4	109.9483	0.581	4	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]HO)(CH3)(H)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C(CC[6a]CH)(H)3	112.8205	0.207	2	112.8205	0.043	2	112.8205	0.043	2	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(H)3	110.5135	0.025	2	110.5135	0.001	2	110.5135	0.001	2	111.4670	1.843	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:2:1:1:	C[6a]-3:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(OH)(H)2	C(C[6a]C[6a]2)(CC[3]HO)(CHHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(OH)(H)2	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.5820	0.407	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:2:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	C(CN[5]CH)(OC)(H)2	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CN[5]CH)(CH3)(OC)(H)	C(CN[5]CH)(OC)(H)2	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	110.5820	0.407	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CC[6a]CH)(NCS)(H)2	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CC[6a]CH)(NCS)(H)2	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	112.1840	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(CCHH)(H)2	110.4205	1.418	2	110.4205	2.010	2	110.4205	2.010	2	111.6215	4.510	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5a]CH)(CCHH)(H)2	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	111.6215	4.510	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CC[6a]CH)(CCHH)(OC)(H)	C(CC[6a]CH)(CCCO)(H)2	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	111.6215	4.510	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	110.8520	0.000	1	110.8520	0.000	1	110.8520	0.000	1	111.6215	4.510	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:1:	4:4:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	114.2940	0.000	1	114.2940	0.000	1	114.2940	0.000	1	111.6215	4.510	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:2:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	C(CCHN)(H)3	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	C(CCHN)(H)3	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:2:2:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(CC[6a]CH)(CC[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(CC[6a]CH)(CC[5a]O)(H)2	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(H)3	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(H)3	109.5780	0.000	1	109.5780	0.000	1	110.9815	3.940	2	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)2(NOO)(H)	C(CCCH)(H)3	C(CN[5]O)(CCHN)(CH3)(H)	C(CCCH)2(NOO)(H)	C(CCCH)(H)3	112.3850	0.000	1	112.3850	0.000	1	110.9815	3.940	2	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(CH3)(COO)(H)	C(CC[6a]CH)(F)3	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CC[6a]CH)(CH3)(COO)(H)	C(CC[6a]CH)(F)3	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	C(CC[6a]CH)(H)3	110.6350	0.000	1	110.6350	0.000	1	111.6050	0.709	3	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(CC[6a]CH)(H)3	112.0290	0.000	1	112.0290	0.000	1	111.6050	0.709	3	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(CC[6a]CH)(H)3	112.1510	0.000	1	112.1510	0.000	1	111.6050	0.709	3	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(CC[6a]CH)(H)3	115.0785	0.349	4	115.0785	0.122	4	115.0785	0.122	4	112.7675	4.699	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CC[5a]CH)(NOO)(H)2	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CC[5a]CH)(CCHH)(NOO)(H)	C(CC[5a]CH)(NOO)(H)2	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]CH)(CCH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]CH)(CCH)(H)2	115.1780	0.000	1	115.1780	0.000	1	111.9544	9.801	5	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(CC[6a]CH)(COO)(H)2	115.4790	0.000	1	115.4790	0.000	1	111.9544	9.801	5	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	C(CC[6a]CH)(CCO)(H)2	108.8320	0.000	1	108.8320	0.000	1	111.9544	9.801	5	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	C(CC[6a]CH)(CNO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CH3)(CNO)(H)	C(CC[6a]CH)(CNO)(H)2	110.1415	0.260	2	110.1415	0.067	2	111.9544	9.801	5	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	108.5490	0.000	1	108.5490	0.000	1	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(H)	C(CC[6a]CH)(NOO)(H)2	109.9190	0.000	1	109.9190	0.000	1	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CCO)(H)	C(CC[6a]CH)(NOO)(H)2	109.9340	0.000	1	109.9340	0.000	1	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(H)	C(CC[6a]CH)(NOO)(H)2	109.7730	2.116	2	109.7730	4.476	2	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(COS)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)(CH3)(COS)(H)	C(CC[6a]CH)(NOO)(H)2	106.2025	0.378	2	106.2025	0.143	2	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	C(CC[6a]CH)(NOO)(H)2	113.0713	0.853	3	113.0713	0.728	3	109.9567	7.269	10	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	C(CC[6a]CH)(CCO)(H)2	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(CH3)(NOO)(H)	C(CC[6a]CH)(NOO)(H)2	109.3815	1.337	2	109.3815	1.788	2	109.3815	1.788	2	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:S-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(CC[6a]CH)(CHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHS)(H)	C(CC[6a]CH)(SC[6a]OO)(COO)(H)	C(CC[6a]CH)(CHO)(H)2	107.7660	0.000	1	107.7660	0.000	1	107.7660	0.000	1	110.2805	6.852	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:2:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:B-3:H-1:	C-4:C-3:O-2:H-1:	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CC[6a]CH)(CCH)(OSi)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CC[6a]CH)(CCH)(OSi)(H)	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	114.3517	13.757	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:2:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CN[5]CH)(CCHH)(NCH)(H)	C(CN[5]CH)(CCH)(OH)(H)	112.2110	0.137	2	112.2110	0.019	2	112.2110	0.019	2	114.3517	13.757	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:3:1:	C-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(CH3)(NOO)(H)	C(CCCH)(COO)2(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCCH)(CH3)(NOO)(H)	C(CCCH)(COO)2(H)	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	113.1095	3.424	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:3:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CC[6a]CH)(COO)2(H)	C(C[6a]C[6a]2)(CCCH)2(H)	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CC[6a]CH)(COO)2(H)	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	113.1095	3.424	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	C(CC[4]CH)(CCHH)(H)2	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	C(CC[4]CH)(CCHH)(H)2	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	111.2993	14.443	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	C(CC[6a]CH)(CH3)(H)2	108.6143	2.082	3	108.6143	4.336	3	108.6143	4.336	3	111.2993	14.443	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(CC[6a]CH)(CH3)(H)2	112.1455	0.039	2	112.1455	0.002	2	112.1455	0.002	2	111.2993	14.443	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CC[6a]CH)(CH3)(COO)(OH)	C(CC[6a]CH)(H)3	111.1665	0.910	2	111.1665	0.828	2	111.1665	0.828	2	111.1665	0.828	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:2:	4:3:1:1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(CC[5a]CH)(CC[6a]O)(H)2	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(CC[5a]CH)(CC[6a]O)(H)2	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[5a]HH)(CC[6a]CH)(COO)2	C(CC[6a]CH)(CN[5a]O)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC[5a]HH)(CC[6a]CH)(COO)2	C(CC[6a]CH)(CN[5a]O)(H)2	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(CCO)(COO)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(CCO)(COO)	C(CC[6a]CH)(NOO)(H)2	109.5100	0.000	1	109.5100	0.000	1	109.0245	0.471	2	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(COS)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)(COO)(COS)	C(CC[6a]CH)(NOO)(H)2	108.5390	0.000	1	108.5390	0.000	1	109.0245	0.471	2	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(CC[6a]CH)(NOO)(H)2	113.7610	0.000	1	113.7610	0.000	1	112.6013	1.832	3	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(CC[6a]CH)(NOO)(H)2	111.1140	0.000	1	111.1140	0.000	1	112.6013	1.832	3	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:3:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(CC[6a]CH)(NOO)(H)2	112.9290	0.000	1	112.9290	0.000	1	112.6013	1.832	3	111.1903	3.900	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(CF3)2(F)	C(CCCH)(H)3	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCH)(CF3)2(F)	C(CCCH)(H)3	113.3830	1.278	2	113.3830	1.634	2	113.3830	1.634	2	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]N)(CCCH)(CH3)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[6]N)(CCCH)(CH3)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	112.4400	0.000	2	112.4400	0.000	2	112.4400	0.000	2	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[5]-3:C-4:C-4:Br-1:	C-4:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CC[5]BrC)(Br)(H)2	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CC[5]BrC)(Br)(H)2	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CC[6a]CH)(H)3	112.6130	0.000	1	112.6130	0.000	1	112.6130	0.000	1	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(CC[6a]CH)(H)3	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(H)3	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	114.3335	1.155	2	114.3335	1.333	2	114.3335	1.333	2	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	C(CN[6]CH)(Cl)(H)2	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	C(CN[6]CH)(Cl)(H)2	113.4820	0.000	1	113.4820	0.000	1	113.4820	0.000	1	113.5416	1.119	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CC[6a]CO)(OS)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CC[6a]CO)(OS)(H)2	114.0740	0.000	1	114.0740	0.000	1	114.0740	0.000	1	114.4440	0.438	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	114.1380	0.156	2	114.1380	0.024	2	114.1380	0.024	2	114.4440	0.438	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:2:1:1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(CH3)2(H)	C(CN[5a]CH)(OH)(H)2	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CN[5a]CH)(CH3)2(H)	C(CN[5a]CH)(OH)(H)2	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	114.4440	0.438	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CB[5]CH)(CCH)(H)2	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CB[5]CH)(CCH)(H)2	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	111.8773	2.145	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CC[6a]CH)(CCO)(H)2	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	111.8773	2.145	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NH3)(H)	C(CC[6a]CH)(COO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CH3)(NH3)(H)	C(CC[6a]CH)(COO)(H)2	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	111.8773	2.145	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(NOO)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(CC[6a]CH)(NOO)(H)2	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	111.8773	2.145	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCHH)(H)2	110.3640	0.000	1	110.3640	0.000	1	112.5621	1.645	13	112.5846	1.525	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CC[6a]CH)(CH3)(H)2	112.6423	1.145	11	112.6423	1.310	11	112.5621	1.645	13	112.5846	1.525	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(CC[6a]CH)(CH3)(H)2	113.8780	0.000	1	113.8780	0.000	1	112.5621	1.645	13	112.5846	1.525	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CC[6a]CH)(NC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(CC[6a]CH)(NC[6a]HH)(H)2	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	112.5846	1.525	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:2:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	112.1050	0.000	1	112.1050	0.000	1	115.1230	18.217	2	115.1230	18.217	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:2:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(OSi)(H)	118.1410	0.000	1	118.1410	0.000	1	115.1230	18.217	2	115.1230	18.217	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:4:2:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	117.3207	4.613	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:1:	4:4:4:2:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	118.5495	0.408	2	118.5495	0.166	2	118.5495	0.166	2	117.3207	4.613	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(H)3	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(H)3	114.0215	0.542	2	114.0215	0.294	2	113.7485	0.219	4	113.4468	0.529	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CH3)(OC)	C(CCCH)(H)3	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCH)2(CH3)(OC)	C(CCCH)(H)3	113.6540	0.000	1	113.6540	0.000	1	113.7485	0.219	4	113.4468	0.529	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(H)3	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(H)3	113.2970	0.000	1	113.2970	0.000	1	113.7485	0.219	4	113.4468	0.529	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC[6a]CH)(H)3	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	113.4468	0.529	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(CC[6a]CH)(H)3	113.5140	0.000	1	113.5140	0.000	1	113.5140	0.000	1	113.4468	0.529	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:2:1:1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(OH)(H)2	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(OH)(H)2	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:2:	4:4:3:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6a]CH)(CH3)(CCO)(H)	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	113.7220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:3:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	C(CCHN)(H)3	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)(CH3)2(CCN)	C(CCHN)(H)3	114.3400	0.000	1	114.3400	0.000	1	114.3400	0.000	1	114.3400	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:3:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)2(CCH)	C(CC[6a]CH)(NHS)(H)2	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC[6a]CH)(CH3)2(CCH)	C(CC[6a]CH)(NHS)(H)2	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:3:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CC[6a]CH)(CHHO)(H)2	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CH3)3	C(CC[6a]CH)(H)3	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC[6a]CH)(CH3)3	C(CC[6a]CH)(H)3	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	C(CCHN)(H)3	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	C(CCHN)(H)3	114.5145	0.199	2	114.5145	0.039	2	114.8213	0.237	38	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(NCoC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	115.0010	0.318	2	115.0010	0.101	2	114.8213	0.237	38	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NFeC)(CC3)(CH3)(H)	C(CCHH)2(CCHN)(CH3)	C(CCHN)(H)3	C(NFeC)(CC3)(CH3)(H)	C(CCHH)2(CCHN)(CH3)	C(CCHN)(H)3	115.0765	0.192	2	115.0765	0.037	2	114.8213	0.237	38	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(NFeC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	114.8615	0.114	2	114.8615	0.013	2	114.8213	0.237	38	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(NNiC)(CC3)(CH3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	114.8101	0.532	30	114.8101	0.283	30	114.8213	0.237	38	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	C(CN[5]CH)(H)3	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	C(CN[5]CH)(H)3	115.6885	0.511	2	115.6885	0.261	2	115.3597	0.455	3	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:1:1:1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	C(CN[5]CH)(H)3	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CN[5]CH)(CH3)3	C(CN[5]CH)(H)3	114.7020	0.000	1	114.7020	0.000	1	115.3597	0.455	3	114.8581	0.256	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(O)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(O)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	115.9753	0.386	6	115.9753	0.149	6	115.9753	0.149	6	117.3380	6.480	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:1:	4:4:4:4:	4:4:4:4:	N-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	C(CCHN)(CH3)3	C(NC[6a]H)(CC3)2(H)	C(CCHN)(CH3)3	C(CCHN)(CH3)3	121.4260	0.231	2	121.4260	0.053	2	121.4260	0.053	2	117.3380	6.480	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:3:4:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(CC[6a]CO)(CHHN)(H)2	111.0976	0.857	8	111.0976	0.735	8	111.0976	0.735	8	111.0976	0.735	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:3:4:1:	4:4:4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(C[6a]C[6a]2)2(CC[6a]CO)(H)	C(CC[6a]CO)(CCHH)(CHHN)(H)	111.0930	0.243	2	111.0930	0.059	2	111.0930	0.059	2	111.0930	0.059	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:3:4:4:	3:4:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	112.2745	0.312	2	112.2745	0.097	2	112.2745	0.097	2	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(N[5]C[5]2)(CC[6a]CO)(H)2	107.5710	0.000	1	107.5710	0.000	1	109.5287	2.875	3	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OH)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	110.5075	0.035	2	110.5075	0.001	2	109.5287	2.875	3	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CN[5]HH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)2(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	109.9357	1.340	15	109.9357	1.794	15	109.9357	1.794	15	110.1790	2.048	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C(CC[6]CO)(F)3	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(H)2	C(CC[6]CO)(F)3	108.7900	0.000	2	108.7900	0.000	2	108.7900	0.000	2	108.7570	1.586	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	108.7570	1.586	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]HH)(CH3)(OH)	C(N[5]C[5]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(H)3	107.7100	0.190	2	107.7100	0.036	2	107.7100	0.036	2	108.7570	1.586	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(CN[5]O)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(CN[5]O)(H)2	110.3790	0.000	2	110.3790	0.000	2	110.3790	0.000	2	110.8317	0.615	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CHHN)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(CC[6a]CO)(NCC)(H)2	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	110.8317	0.615	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-2:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	107.9350	0.000	1	107.9350	0.000	1	107.9350	0.000	1	108.1660	0.107	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CCHH)(H)2	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.1660	0.107	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:4:4:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	110.7560	2.852	2	110.7560	8.137	2	110.7560	8.137	2	110.7560	8.137	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:2:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(NHS)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHN)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(NHS)(H)2	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:2:1:	4:3:3:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(CC[6a]CO)(CCH)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(CC[6a]CO)(CCH)(COO)(H)	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:2:1:	4:4:3:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(CC[6a]CO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(CC[6a]CO)(CH3)(CCH)(H)	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:2:1:	4:4:4:3:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(CH3)2(CCH)	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	3:4:2:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(OC)(H)	108.4950	2.558	3	108.4950	6.542	3	108.4950	6.542	3	108.4950	6.542	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C(CC[6]CO)(F)3	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C(C[6a]C[6a]2)(CC[6]CO)(CCH)(H)	C(CC[6]CO)(F)3	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	111.1396	4.361	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:Br-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CBrHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(Br)(H)2	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	111.1396	4.361	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCF)(H)	C(CC[6a]CO)(H)3	113.6530	0.000	1	113.6530	0.000	1	111.9627	5.141	3	111.1396	4.361	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(H)3	112.8490	0.000	1	112.8490	0.000	1	111.9627	5.141	3	111.1396	4.361	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(CC[6a]CO)(H)3	109.3860	0.000	1	109.3860	0.000	1	111.9627	5.141	3	111.1396	4.361	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(OH)(H)2	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.3460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(CC[6a]CC)(CCH)(H)2	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:F-1:F-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(CC[6a]CO)(CCFF)(F)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	C(CC[6a]CO)(CCFF)(F)2	108.8215	0.097	2	108.8215	0.009	2	108.8215	0.009	2	108.8215	0.009	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:4:4:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCH)(H)	C(CC[6a]CO)(CH3)2(H)	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	109.1400	0.080	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5a]HH)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(H)2	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.1400	0.080	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a,6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	110.5610	0.000	1	110.5610	0.000	1	110.6425	0.013	2	110.1972	0.969	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	110.7240	0.000	1	110.7240	0.000	1	110.6425	0.013	2	110.1972	0.969	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5a]CH)(CH3)(OH)	C(N[5a]C[5a]N[5a])(CC[6a]CO)(CC[6a]HH)(H)	C(CC[6a]CO)(H)3	109.7520	1.450	2	109.7520	2.101	2	109.7520	2.101	2	110.1972	0.969	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CHHO)(OC)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CC[6a]CO)(OH)(H)2	113.1440	2.373	2	113.1440	5.631	2	113.1440	5.631	2	113.1440	5.631	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:F-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6a]CF)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CC[6a]HH)(F)	C(CC[6a]CO)(CCH)(H)2	110.3605	0.627	2	110.3605	0.393	2	110.3605	0.393	2	110.3605	0.393	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CH3)(OH)	C(CC[6a]CO)(H)3	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CCHH)(H)2	109.8860	0.921	2	109.8860	0.848	2	109.8860	0.848	2	109.7578	0.329	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:2:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	109.6295	0.271	2	109.6295	0.073	2	109.6295	0.073	2	109.7578	0.329	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(CC[6a]CC)(H)3	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(CC[6a]CO)(H)3	113.2490	0.000	1	113.2490	0.000	1	113.2490	0.000	1	113.7777	1.534	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CO)(H)3	115.1930	0.000	1	115.1930	0.000	1	114.0420	2.650	2	113.7777	1.534	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(CC[6a]CO)(H)3	112.8910	0.000	1	112.8910	0.000	1	114.0420	2.650	2	113.7777	1.534	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]O)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	109.8780	0.000	1	109.8780	0.000	1	109.8780	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CRuC)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CRuC)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	110.3967	0.254	3	110.3967	0.065	3	110.3967	0.065	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[5]C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.7050	0.000	1	110.7050	0.000	1	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6a]C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	109.5725	0.285	2	109.5725	0.081	2	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCuC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCuC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.5920	0.573	4	111.5920	0.328	4	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]O)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	112.2560	0.434	2	112.2560	0.188	2	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CSeC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.3514	0.813	5	111.3514	0.661	5	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiC)(CH3)2(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CSiC)(CH3)2(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	111.2700	0.000	1	111.2700	0.000	1	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiC)(CH3)2(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CSiC)(CH3)2(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	111.4130	0.000	1	111.4130	0.000	1	111.2606	0.826	16	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CC[6a]N)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	110.7230	0.588	4	110.7230	0.346	4	110.7230	0.346	4	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5])(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5])(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.1820	0.000	1	110.1820	0.000	1	111.5878	0.477	13	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]N[5]O[5])(CH3)2(OP)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.7050	0.571	12	111.7050	0.326	12	111.5878	0.477	13	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(CH3)2(SS)	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	C(C[5]N[5]2)(CH3)2(SS)	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)2(H)	C(CC[5a]CO)(F)3	C(C[5a]C[5a,6a]C[5a])(CFFH)(CF3)(OH)	C(CC[5a]CO)(F)2(H)	C(CC[5a]CO)(F)3	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C(CC[5a]CO)(H)3	C(CC[5a]CO)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(OH)	C(CC[5a]CO)(H)3	C(CC[5a]CO)(H)3	111.7130	0.057	2	111.7130	0.003	2	111.7130	0.003	2	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6]C[6]N[6])(CF3)2(OPt)	C(CC[6]CO)(F)3	C(CC[6]CO)(F)3	C(C[6]C[6]N[6])(CF3)2(OPt)	C(CC[6]CO)(F)3	C(CC[6]CO)(F)3	110.2650	0.328	3	110.2650	0.107	3	110.2650	0.107	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(OIr)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OIr)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.3190	1.572	38	110.3190	2.472	38	110.2610	1.932	50	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(ONi)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ONi)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.2100	0.724	2	110.2100	0.524	2	110.2610	1.932	50	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(OP)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.2122	0.418	5	110.2122	0.175	5	110.2610	1.932	50	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(ORh)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORh)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.7250	0.688	3	109.7250	0.474	3	110.2610	1.932	50	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)2(ORu)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CH3)2(ORu)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.1365	0.022	2	110.1365	0.000	2	110.2610	1.932	50	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	110.8125	0.853	2	110.8125	0.728	2	110.8125	0.728	2	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(HCo)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HCo)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	111.2300	0.000	1	111.2300	0.000	1	109.9330	1.278	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(HY)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)2(HY)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(H)3	109.2845	0.183	2	109.2845	0.034	2	109.9330	1.278	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	109.3716	0.550	21	109.3716	0.303	21	109.4449	0.407	22	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(NN)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NN)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.9840	0.000	1	110.9840	0.000	1	109.4449	0.407	22	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OCu)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OCu)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	110.2130	0.000	1	110.2130	0.000	1	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OFe)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OFe)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	107.6252	0.763	4	107.6252	0.583	4	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	110.6679	0.566	15	110.6679	0.320	15	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OPd)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OPd)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	108.0380	0.000	1	108.0380	0.000	1	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OPt)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OPt)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	111.0340	0.000	1	111.0340	0.000	1	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OSb)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OSb)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	111.5544	0.504	5	111.5544	0.254	5	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OSn)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OSn)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	109.6545	0.086	2	109.6545	0.007	2	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CF3)2(OTi)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CF3)2(OTi)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(F)3	110.9187	0.661	6	110.9187	0.437	6	110.3542	1.666	35	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.3020	0.000	1	110.3020	0.000	1	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OC)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	108.7557	2.059	3	108.7557	4.239	3	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OCr)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCr)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	108.8893	0.534	3	108.8893	0.285	3	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OCu)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OCu)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	109.3540	0.000	1	109.3540	0.000	1	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OFe)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OFe)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.7555	0.452	2	110.7555	0.204	2	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.1188	1.272	26	110.1188	1.617	26	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OO)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.8080	0.277	4	110.8080	0.077	4	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(OSi)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CH3)2(OSi)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	105.9040	0.000	1	105.9040	0.000	1	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.4430	0.000	1	110.4430	0.000	1	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	C(C[6a]C[6a]O[6a])(CH3)2(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(H)3	110.9640	0.000	1	110.9640	0.000	1	109.9473	1.920	43	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(SC)	C(CC[6a]CS)(H)3	C(CC[6a]CS)(H)3	C(C[6a]C[6a]2)(CH3)2(SC)	C(CC[6a]CS)(H)3	C(CC[6a]CS)(H)3	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	C(CCCN)(H)3	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)2(CH)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)2(CH)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.0690	0.000	1	110.0690	0.000	1	110.0690	0.000	1	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C(CN[5]CO)(H)3	C(CN[5]CO)(H)3	C(N[5]C[5,6a]N[5])(CH3)2(ORe)	C(CN[5]CO)(H)3	C(CN[5]CO)(H)3	113.0470	0.000	1	113.0470	0.000	1	112.8770	0.729	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]N[5])(CH3)2(OMo)	C(CN[5]CO)(H)3	C(CN[5]CO)(H)3	C(N[5]C[5]N[5])(CH3)2(OMo)	C(CN[5]CO)(H)3	C(CN[5]CO)(H)3	112.7920	1.189	2	112.7920	1.415	2	112.8770	0.729	3	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.3030	0.000	1	108.3030	0.000	1	108.1555	0.044	2	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.0080	0.000	1	108.0080	0.000	1	108.1555	0.044	2	110.3190	1.784	209	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(Br)(H)2	C(CC[6a]CO)(OH)(H)2	C(C[6a]C[6a]2)(CBrHH)(CHHO)(OH)	C(CC[6a]CO)(Br)(H)2	C(CC[6a]CO)(OH)(H)2	107.9657	0.414	4	107.9657	0.171	4	107.9657	0.171	4	107.9657	0.171	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:2:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C(CC[6]CO)(H)3	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	110.4455	4.266	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(ON)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CHHO)(CF3)(OH)	C(CC[6a]CO)(ON)(H)2	C(CC[6a]CO)(F)3	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	110.4455	4.266	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:2:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-2:S-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(SC[6a])(SC[6])(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHSS)(CH3)(OH)	C(CC[6a]CO)(SC[6a])(SC[6])(H)	C(CC[6a]CO)(H)3	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(CCO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CCHH)(CH3)(OH)	C(CC[5]CO)(CCO)(H)2	C(CC[5]CO)(H)3	113.3930	0.000	1	113.3930	0.000	1	113.3930	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:H-1:	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(CCH)(H)2	C(CC[5a]CO)(F)2(H)	C(C[5a]C[5a]N[5a])(CCHH)(CFFH)(OH)	C(CC[5a]CO)(CCH)(H)2	C(CC[5a]CO)(F)2(H)	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(NC[6a]C)(H)2	C(CC[5a]CO)(H)3	C(C[5a]N[5a]2)(CHHN)(CH3)(OH)	C(CC[5a]CO)(NC[6a]C)(H)2	C(CC[5a]CO)(H)3	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFF)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)2	C(CC[6a]CO)(H)3	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:F-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCFH)(CH3)(OH)	C(CC[6a]CO)(CNO)(F)(H)	C(CC[6a]CO)(H)3	110.3630	1.092	2	110.3630	1.192	2	110.3630	1.192	2	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(CCO)(H)2	C(CC[6a]CO)(Cl)3	C(C[6a]C[6a]2)(CCHH)(CCl3)(OH)	C(CC[6a]CO)(CCO)(H)2	C(CC[6a]CO)(Cl)3	109.3950	0.307	2	109.3950	0.094	2	109.3950	0.094	2	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	C(CC[6a]CO)(Cl)2(H)	C(C[6a]C[6a]2)(CCl2H)(CCHH)(OH)	C(CC[6a]CO)(CCH)(H)2	C(CC[6a]CO)(Cl)2(H)	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCH)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCH)(H)2	C(CC[6a]CO)(F)3	109.4335	0.083	2	109.4335	0.007	2	108.7279	0.430	7	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCO)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CCO)(H)2	C(CC[6a]CO)(F)3	108.7440	0.438	3	108.7440	0.192	3	108.7279	0.430	7	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]C)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]C)(H)2	C(CC[6a]CO)(F)3	108.2510	0.000	1	108.2510	0.000	1	108.7279	0.430	7	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]N)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(OH)	C(CC[6a]CO)(CC[6a]N)(H)2	C(CC[6a]CO)(F)3	107.7450	0.000	1	107.7450	0.000	1	108.7279	0.430	7	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(F)3	112.0800	0.170	2	112.0800	0.029	2	110.8853	4.296	3	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NHH)(H)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CHHN)(CF3)(OH)	C(CC[6a]CO)(NHH)(H)2	C(CC[6a]CO)(F)3	108.4960	0.000	1	108.4960	0.000	1	110.8853	4.296	3	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(H)3	111.9670	0.000	1	111.9670	0.000	1	110.7645	2.892	2	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CHHN)(CH3)(OH)	C(CC[6a]CO)(NCH)(H)2	C(CC[6a]CO)(H)3	109.5620	0.000	1	109.5620	0.000	1	110.7645	2.892	2	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:S-2:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	C(CC[6a]CS)(NHH)(H)2	C(CC[6a]CS)(F)3	C(C[6a]C[6a]2)(CHHN)(CF3)(SC)	C(CC[6a]CS)(NHH)(H)2	C(CC[6a]CS)(F)3	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	109.6572	2.550	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(COO)(H)2	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	C(CC[6a]CO)(COO)(H)2	C(CC[6a]CO)(NN)(H)2	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)2(OH)	C(CC[6a]CO)(NCC)(H)2	C(CC[6a]CO)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(OH)	C(CC[6a]CO)(NCC)(H)2	C(CC[6a]CO)(NCC)(H)2	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:4:4:1:	C-3:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(CH3)2(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(CH3)2(H)	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(OPb)	C(CC[6a]CO)(CCN)2(H)	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCCH)(CF3)(OPb)	C(CC[6a]CO)(CCN)2(H)	C(CC[6a]CO)(F)3	108.6800	0.238	2	108.6800	0.056	2	108.6800	0.056	2	109.1937	0.820	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:N-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(COO)(NHH)(H)	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(COO)(NHH)(H)	C(CC[6a]CO)(F)3	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	109.1937	0.820	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:3:3:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	C(CC[6a]CO)(OC)(H)2	C(C[6a]C[6a]2)(CCCH)(CHHO)(OH)	C(CC[6a]CO)(CCH)(COO)(H)	C(CC[6a]CO)(OC)(H)2	111.8670	0.146	2	111.8670	0.021	2	111.8670	0.021	2	111.8670	0.021	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]O)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	109.2380	0.229	2	109.2380	0.052	2	109.2380	0.052	2	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2)(CC[5]HH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)2(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)2(H)2	C(CC[6]CO)(H)3	107.9177	0.438	3	107.9177	0.192	3	108.2322	0.282	5	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	108.7450	0.000	1	108.7450	0.000	1	108.2322	0.282	5	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	108.6630	0.000	1	108.6630	0.000	1	108.2322	0.282	5	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(CC[6a]HO)(F)2	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(CC[6a]CO)(CC[6a]HO)(F)2	C(CC[6a]CO)(F)3	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(CCl2C)(H)2	C(CC[6a]CO)(Br)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]CO)(CCl2C)(H)2	C(CC[6a]CO)(Br)(H)2	105.9320	0.000	1	105.9320	0.000	1	105.9320	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(CHHO)(H)2	C(CC[6a]CO)(F)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CC[6a]CO)(CHHO)(H)2	C(CC[6a]CO)(F)(H)2	110.7255	0.947	2	110.7255	0.896	2	110.7255	0.896	2	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]CO)(H)3	109.8635	2.353	2	109.8635	5.534	2	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(H)3	111.0920	0.000	1	111.0920	0.000	1	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(H)3	112.3100	0.000	1	112.3100	0.000	1	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)(H)3	110.2283	2.002	8	110.2283	4.007	8	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6a]CO)(H)3	107.6280	0.000	1	107.6280	0.000	1	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6a]CO)(H)3	109.5405	0.045	2	109.5405	0.002	2	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)(H)3	110.6541	2.740	10	110.6541	7.506	10	110.3282	4.823	25	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-4:H-1:H-1:	C-4:Br-1:F-1:F-1:	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(NCHH)(H)2	C(CC[6a]CO)(Br)(F)2	C(C[6a]C[6a]2)(CBrFF)(CHHN)(OH)	C(CC[6a]CO)(NCHH)(H)2	C(CC[6a]CO)(Br)(F)2	105.7940	0.000	1	105.7940	0.000	1	105.7940	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-4:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]NO)(F)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CFFS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]NO)(F)2	C(CC[6a]CO)(H)3	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]OO)(H)2	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(OH)	C(CC[6a]CO)(SC[6a]OO)(H)2	C(CC[6a]CO)(H)3	108.0895	0.500	2	108.0895	0.250	2	108.0895	0.250	2	109.7883	4.469	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CCHO)(H)2	C(CC[6a]CO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CCHO)(H)2	C(CC[6a]CO)(CC)(H)2	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]CO)(COO)(F)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CCHH)(H)2	C(CC[6a]CO)(COO)(F)2	110.2400	0.000	1	110.2400	0.000	1	109.8347	0.332	3	109.8347	0.332	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CNO)(F)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CNO)(F)2	110.0890	0.000	1	110.0890	0.000	1	109.8347	0.332	3	109.8347	0.332	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(COO)(F)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(COO)(F)2	109.1750	0.000	1	109.1750	0.000	1	109.8347	0.332	3	109.8347	0.332	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.8187	0.682	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C(CC[6a]CO)(CF3)(F)2	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C(CC[6a]CO)(CF3)(F)2	C(CC[6a]CO)(CF3)(F)2	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	107.8187	0.682	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC[6a]HN)(H)2	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC[6a]HN)(H)2	C(CC[6a]CO)(CH3)(H)2	107.2290	0.000	1	107.2290	0.000	1	107.6855	0.474	4	107.8187	0.682	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C(CC[6a]CO)2(H)2	C(CC[6a]CO)2(H)2	107.8377	0.756	3	107.8377	0.571	3	107.6855	0.474	4	107.8187	0.682	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5])(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C(CC[5]CO)(H)3	107.5145	1.235	2	107.5145	1.526	2	107.5145	1.526	2	112.6591	11.478	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(CC[6a]CN)(H)3	113.2097	0.153	3	113.2097	0.023	3	113.2097	0.023	3	112.6591	11.478	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(H)3	115.5383	0.171	3	115.5383	0.029	3	115.5383	0.029	3	112.6591	11.478	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(CH3)(CNO)(H)	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CC[6a]CO)(CH3)(CNO)(H)	C(CC[6a]CO)(F)3	110.4060	0.832	2	110.4060	0.691	2	110.4060	0.691	2	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(CHN)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(CHN)(H)	C(CC[6a]CO)(H)3	112.2560	0.000	2	112.2560	0.000	2	112.1642	0.510	5	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(COO)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CC[6a]CO)(CH3)(COO)(H)	C(CC[6a]CO)(H)3	112.6620	0.371	2	112.6620	0.137	2	112.1642	0.510	5	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(CC[6a]CO)(H)3	110.9850	0.000	1	110.9850	0.000	1	112.1642	0.510	5	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(CH3)(NOO)(H)	C(CC[6a]CO)(F)3	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CC[6a]CO)(CH3)(NOO)(H)	C(CC[6a]CO)(F)3	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(CH3)(NCH)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CC[6a]CO)(CH3)(NCH)(H)	C(CC[6a]CO)(H)3	110.9840	0.240	2	110.9840	0.058	2	110.9840	0.058	2	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CN[6]CC)(H)3	109.7195	0.104	2	109.7195	0.011	2	109.7195	0.011	2	111.2412	1.236	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:3:2:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CC[6a]CO)(H)3	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:1:1:1:	C-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCO)(H)3	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	113.3547	1.699	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:1:1:1:	C[5a]-3:C-4:C-4:N-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(CH3)2(H)	C(CC[5a]CN)(H)3	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(CH3)2(H)	C(CC[5a]CN)(H)3	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	113.3547	1.699	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(CC[6a]CO)(H)3	113.5810	0.000	1	113.5810	0.000	1	113.5810	0.000	1	113.3547	1.699	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:3:1:1:	N-3:C-4:C-4:C-2:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	C(CCCN)(NCC)(H)2	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	C(CCCN)(NCC)(H)2	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	109.6660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:4:4:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CC[6a]CO)(CH3)2(H)	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CC[6a]CO)(CH3)2(H)	C(CC[6a]CO)(CH3)2(H)	110.5865	0.177	2	110.5865	0.032	2	110.5865	0.032	2	110.5865	0.032	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-1:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC[6a]CO)(CH3)2(C)	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC[6a]CO)(CH3)2(C)	C(CC[6a]CO)(CH3)3	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(CH3)2(CC)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC[6a]CO)(CH3)2(CC)	C(CC[6a]CO)(H)3	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CC[6a]CO)(H)3	112.9965	0.145	2	112.9965	0.021	2	112.5708	0.502	4	112.5708	0.502	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)2(CCH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CCHH)2(CCH)	C(CC[6a]CO)(H)3	112.7620	0.000	1	112.7620	0.000	1	112.5708	0.502	4	112.5708	0.502	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	C(CC[6a]CO)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC[6a]CO)(CH3)2(CCH)	C(CC[6a]CO)(H)3	111.5280	0.000	1	111.5280	0.000	1	112.5708	0.502	4	112.5708	0.502	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:3:1:1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(CC[6a]CO)(CCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(CC[6a]CO)(CCH)(H)2	114.4145	0.343	2	114.4145	0.118	2	114.4145	0.118	2	114.4145	0.118	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[5a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC[5a]CO)(CH3)3	C(CC[5a]CO)(CH3)3	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC[5a]CO)(CH3)3	C(CC[5a]CO)(CH3)3	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OCo)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCo)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	117.7132	0.453	4	117.7132	0.205	4	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OCr)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCr)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	118.2333	1.004	6	118.2333	1.008	6	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	117.5691	0.503	7	117.5691	0.253	7	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OMg)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OMg)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	117.6200	0.000	1	117.6200	0.000	1	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(ORu)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(ORu)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	118.2420	0.000	1	118.2420	0.000	1	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:2:	4:4:4:4:	4:4:4:4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(CC3)2(OZn)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OZn)	C(CC[6a]CO)(CH3)3	C(CC[6a]CO)(CH3)3	115.9080	0.103	2	115.9080	0.011	2	117.6626	0.785	21	117.7412	0.884	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:3:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2H)(CH3)(CHN)	C(C[6a]C[6a]2)2(CC[6a]CC)(H)	C(CC[6a]CC)(H)3	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-3:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(OCo2)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	107.9730	0.000	1	107.9730	0.000	1	107.7100	0.062	3	107.7100	0.062	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:O-3:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(C[6a]C[6a]2)(CN[5]HH)2(ONi2)	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	C(N[5]C[5]N[5])(CC[6a]CO)(H)2	107.5785	0.139	2	107.5785	0.019	2	107.7100	0.062	3	107.7100	0.062	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	109.7190	1.936	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	C(CC[6a]CN)(H)3	109.9160	0.674	4	109.9160	0.455	4	109.9160	0.455	4	109.7190	1.936	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CC[6a]HH)(CH3)(COO)	C(C[6a]C[6a]2)(CN[5]CC)(H)2	C(CN[5]CC)(H)3	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	109.7190	1.936	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-3:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	C(C[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CH3)(H)2	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	111.4017	0.748	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCHH)(H)2	111.4740	0.000	1	111.4740	0.000	1	111.8510	0.284	2	111.4017	0.748	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CFFH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CFFH)(H)2	112.2280	0.000	1	112.2280	0.000	1	111.8510	0.284	2	111.4017	0.748	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(CC[6a]CC)(H)3	110.8420	0.296	2	110.8420	0.087	2	110.8420	0.087	2	110.8420	0.087	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:2:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHHS)(CCH)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(SC[6a]OO)(H)2	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(CH3)(CCH)	C(C[6a]C[6a]2)(CC[6a]CC)(NHS)(H)	C(CC[6a]CC)(H)3	109.2355	0.446	2	109.2355	0.199	2	109.2355	0.199	2	109.2355	0.199	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:3:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(CCHH)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(NC[6a]O)(H)	C(CC[6a]CC)(CCC)(H)2	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(NHS)	C(C[6a]C[6a]2)(CC[6a]CN)(CH3)(H)	C(CC[6a]CN)(H)3	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:4:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CC[6a]CC)(CCC)(H)2	110.1060	0.750	2	110.1060	0.562	2	110.1060	0.562	2	110.1060	0.562	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(CC[6a]CC)(H)3	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CC[6a]CN)(H)3	112.5600	0.000	1	112.5600	0.000	1	112.6910	0.034	2	112.6910	0.034	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CC[6a]CN)(H)3	112.8220	0.000	1	112.8220	0.000	1	112.6910	0.034	2	112.6910	0.034	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]O)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.1120	0.456	5	109.1120	0.208	5	109.1120	0.208	5	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)2(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	110.7130	0.000	1	110.7130	0.000	1	110.2340	0.633	5	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)2(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]O)(CH3)2(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	111.3070	0.000	1	111.3070	0.000	1	110.2340	0.633	5	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CN[5]O)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	109.7167	0.418	3	109.7167	0.175	3	110.2340	0.633	5	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)2(CCO)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]C[5])(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5820	0.000	1	108.5820	0.000	1	108.4627	0.196	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5,6]N[5])(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.9520	0.000	1	107.9520	0.000	1	108.4627	0.196	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3150	0.000	1	108.3150	0.000	1	108.4627	0.196	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(CH3)2(CNO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)2(CNO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0020	0.000	1	109.0020	0.000	1	108.4627	0.196	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)2(CCH)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.1520	0.000	1	108.1520	0.000	1	108.7273	0.657	13	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CH3)2(COO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.7820	0.000	1	108.7820	0.000	1	108.7273	0.657	13	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]2)(CH3)2(CCO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)2(CCO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.2310	0.000	1	108.2310	0.000	1	108.7273	0.657	13	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)2(CCH)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.6028	0.849	8	108.6028	0.721	8	108.7273	0.657	13	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.7340	0.314	2	109.7340	0.099	2	108.7273	0.657	13	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CH3)2(NCH)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NCH)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	110.7500	0.000	1	110.7500	0.000	1	110.3390	0.338	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CH3)2(NHN)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	C(C[5a]N[5a]2)(CH3)2(NHN)	C(CC[5a]CN)(H)3	C(CC[5a]CN)(H)3	109.9280	0.000	1	109.9280	0.000	1	110.3390	0.338	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)2(CHH)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(CHH)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.8900	0.000	1	107.8900	0.000	1	109.0025	2.475	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	110.1150	0.000	1	110.1150	0.000	1	109.0025	2.475	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]N[6]O[6])(CH3)2(NCH)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	111.4040	0.000	1	111.4040	0.000	1	111.4040	0.000	1	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.2200	2.234	2	108.2200	4.993	2	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.3680	0.000	1	107.3680	0.000	1	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.3310	0.000	1	108.3310	0.000	1	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6,6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6,6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.5057	2.007	3	108.5057	4.030	3	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.8717	0.995	4	108.8717	0.989	4	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.3620	0.000	1	108.3620	0.000	1	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CCN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	106.4570	0.222	2	106.4570	0.049	2	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CCO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CCO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.2028	0.420	21	107.2028	0.176	21	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CHH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.4119	3.977	6	107.4119	15.819	6	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CHW)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CHW)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.1325	1.599	4	108.1325	2.556	4	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(CNO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(CNO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.9280	0.000	1	108.9280	0.000	1	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(COO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)2(COO)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.4750	0.767	11	108.4750	0.588	11	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(CHH)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.9640	0.000	1	107.9640	0.000	1	107.8068	2.425	58	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(H)3	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	108.8552	0.530	18	108.8552	0.281	18	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(NHS)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NHS)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	108.1570	0.000	1	108.1570	0.000	1	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)2(NOO)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CH3)2(NOO)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.9980	0.000	1	110.9980	0.000	1	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCC)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	108.9010	0.000	1	108.9010	0.000	1	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	111.0549	0.845	7	111.0549	0.714	7	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]N[6a])(CH3)2(NOO)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.9370	0.905	2	110.9370	0.819	2	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]N[6a]2)(CH3)2(NCH)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.0479	1.679	8	110.0479	2.820	8	109.6603	1.729	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlN)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlN)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	110.0590	0.000	1	110.0590	0.000	1	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Al)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Al)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	107.3885	0.499	6	107.3885	0.249	6	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]C)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	109.4680	0.000	1	109.4680	0.000	1	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CH3)2(CCO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CCO)	C(CCCN)(H)3	C(CCCN)(H)3	109.6955	0.309	2	109.6955	0.095	2	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]H)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	110.7120	0.000	1	110.7120	0.000	1	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Pd)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Pd)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	109.1770	0.000	1	109.1770	0.000	1	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]S)(CH3)2(CCC)	C(CCCN)(H)3	C(CCCN)(H)3	107.5343	0.355	3	107.5343	0.126	3	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	111.3785	0.468	4	111.3785	0.219	4	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	112.0820	1.161	2	112.0820	1.348	2	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuC)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuC)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	110.4800	0.000	1	110.4800	0.000	1	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	111.3473	0.447	6	111.3473	0.199	6	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NMnC)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	111.5745	0.794	2	111.5745	0.631	2	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	109.6025	0.477	4	109.6025	0.227	4	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTcC)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NTcC)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	110.1030	0.085	4	110.1030	0.007	4	109.8935	2.685	38	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(CNO)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)2(CNO)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.4960	0.878	3	110.4960	0.771	3	110.4960	0.771	3	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6a]O[5])(CH3)2(CCC)	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.5585	0.159	2	109.5585	0.025	2	109.5585	0.025	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)2(CCH)	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N[6,6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	108.9515	0.214	2	108.9515	0.046	2	108.9515	0.046	2	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAl2)(CH3)2(CCN)	C(CCCO)(H)3	C(CCCO)(H)3	C(OAl2)(CH3)2(CCN)	C(CCCO)(H)3	C(CCCO)(H)3	110.8330	0.000	1	110.8330	0.000	1	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCo2)(CH3)2(CCO)	C(CCCO)(H)3	C(CCCO)(H)3	C(OCo2)(CH3)2(CCO)	C(CCCO)(H)3	C(CCCO)(H)3	111.1593	0.477	3	111.1593	0.228	3	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OFeC)(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	C(OFeC)(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	110.9080	0.000	1	110.9080	0.000	1	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiC)(CH3)2(CCO)	C(CCCO)(H)3	C(CCCO)(H)3	C(OLiC)(CH3)2(CCO)	C(CCCO)(H)3	C(CCCO)(H)3	112.9720	0.867	2	112.9720	0.752	2	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONiH)(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	C(ONiH)(CH3)2(COO)	C(CCCO)(H)3	C(CCCO)(H)3	111.6130	0.000	1	111.6130	0.000	1	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OPdH)(CH3)2(CCN)	C(CCCO)(H)3	C(CCCO)(H)3	C(OPdH)(CH3)2(CCN)	C(CCCO)(H)3	C(CCCO)(H)3	111.8090	0.000	1	111.8090	0.000	1	111.6206	0.833	9	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCo2)(CH3)2(CCN)	C(CCCS)(H)3	C(CCCS)(H)3	C(SCo2)(CH3)2(CCN)	C(CCCS)(H)3	C(CCCS)(H)3	110.1057	0.662	3	110.1057	0.438	3	110.1132	0.292	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFeO)(CH3)2(CCN)	C(CCCS)(H)3	C(CCCS)(H)3	C(SFeO)(CH3)2(CCN)	C(CCCS)(H)3	C(CCCS)(H)3	110.1360	0.000	1	110.1360	0.000	1	110.1132	0.292	4	109.1618	2.908	190	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CHHO)(CF3)(CCH)	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(F)3	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	108.8945	1.693	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)(CCH)	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(H)3	109.0665	1.107	2	109.0665	1.225	2	109.0665	1.225	2	108.8945	1.693	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(NN)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	C(CC[6a]CN)(NN)(H)2	C(CC[6a]CN)(H)3	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	108.8945	1.693	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:2:1:1:	4:2:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CC[5a]CC)(CC)(H)2	C(CC[5a]CC)(CC)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CC[5a]CC)(CC)(H)2	C(CC[5a]CC)(CC)(H)2	110.3725	0.350	2	110.3725	0.123	2	110.3725	0.123	2	110.3725	0.123	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	C(CC[5a]CC)(NCS)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)(CCH)	C(CC[5a]CC)(NCS)(H)2	C(CC[5a]CC)(H)3	105.4950	0.000	1	105.4950	0.000	1	105.4950	0.000	1	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(COO)(H)2	C(CC[6a]CN)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(COO)(H)2	C(CC[6a]CN)(F)3	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(CCH)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NHS)	C(CC[6a]CN)(CCH)(H)2	C(CC[6a]CN)(H)3	109.7400	0.000	1	109.7400	0.000	1	109.7400	0.000	1	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(NCH)(H)2	C(CC[6a]CN)(F)3	C(C[6a]C[6a]2)(CHHN)(CF3)(NHS)	C(CC[6a]CN)(NCH)(H)2	C(CC[6a]CN)(F)3	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(NOO)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CHHN)(CH3)(NHS)	C(CC[6a]CN)(NOO)(H)2	C(CC[6a]CN)(H)3	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)(CNO)(H)2	C(CCCN)(H)3	109.9880	0.423	3	109.9880	0.179	3	109.9880	0.179	3	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C(CN[5a]CC)(NCH)(H)2	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CHHN)(CH3)(COO)	C(CN[5a]CC)(NCH)(H)2	C(CN[5a]CC)(H)3	110.3192	0.451	5	110.3192	0.203	5	110.3192	0.203	5	109.5429	1.937	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:2:1:1:	C-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]C)(CCHH)(CHHO)(COO)	C(CC3)(CCH)(H)2	C(CC3)(OC)(H)2	C(CC[6a]C)(CCHH)(CHHO)(COO)	C(CC3)(CCH)(H)2	C(CC3)(OC)(H)2	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:3:1:1:	C-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]O)(CCHH)2(COO)	C(CC3)(CCH)(H)2	C(CC3)(CCH)(H)2	C(CC[5]O)(CCHH)2(COO)	C(CC3)(CCH)(H)2	C(CC3)(CCH)(H)2	111.4025	0.327	4	111.4025	0.107	4	111.4025	0.107	4	112.1109	0.624	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:3:1:1:	C[5a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CC[5a]CC)(COO)(H)2	C(CC[5a]CC)(COO)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CC[5a]CC)(COO)(H)2	C(CC[5a]CC)(COO)(H)2	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	112.1109	0.624	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	C(CC[6a]CC)(CC[5]C)(H)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	C(CC[6a]CC)(CC[5]C)(H)2	C(CC[6a]CC)(NOO)(H)2	112.2320	0.030	2	112.2320	0.001	2	112.6507	0.526	3	112.1109	0.624	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(COO)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	113.4880	0.000	1	113.4880	0.000	1	112.6507	0.526	3	112.1109	0.624	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)2(NOO)	C(CC[6a]CN)(NCC)(H)2	C(CC[6a]CN)(NCC)(H)2	C(C[6a]C[6a]2)(CHHN)2(NOO)	C(CC[6a]CN)(NCC)(H)2	C(CC[6a]CN)(NCC)(H)2	112.6890	0.000	1	112.6890	0.000	1	112.6890	0.000	1	112.1109	0.624	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:3:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(CCH)(OC)(H)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(NHS)	C(CC[6a]CN)(CCH)(OC)(H)	C(CC[6a]CN)(H)3	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	109.6200	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(F)3	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CC[6a]CC)(CCFF)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CC[6a]CC)(CCFF)(H)2	C(CC[6a]CC)(H)3	111.8070	0.000	1	111.8070	0.000	1	110.5842	1.583	4	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CC[6a]CC)(CF3)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CC[6a]CC)(CF3)(H)2	C(CC[6a]CC)(H)3	110.8450	0.273	2	110.8450	0.074	2	110.5842	1.583	4	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(H)3	108.8400	0.000	1	108.8400	0.000	1	110.5842	1.583	4	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	C(CC[6a]CC)(SCOO)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	C(CC[6a]CC)(SCOO)(H)2	C(CC[6a]CC)(H)3	109.4295	0.476	2	109.4295	0.226	2	109.4295	0.226	2	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(CCHH)(H)2	C(CC[6a]CN)(F)3	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CC[6a]CN)(CCHH)(H)2	C(CC[6a]CN)(F)3	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(CH3)(H)2	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CC[6a]CN)(CH3)(H)2	C(CC[6a]CN)(H)3	107.7490	0.000	1	107.7490	0.000	1	107.7490	0.000	1	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)2(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(CCCN)2(H)2	C(CCCN)(H)3	108.2930	0.000	1	108.2930	0.000	1	107.5685	1.050	2	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	106.8440	0.000	1	106.8440	0.000	1	107.5685	1.050	2	109.2595	2.589	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CC[6a]CC)(CHHN)(H)2	C(CC[6a]CC)(CCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CC[6a]CC)(CHHN)(H)2	C(CC[6a]CC)(CCC)(H)2	112.3620	0.560	2	112.3620	0.314	2	112.3620	0.314	2	111.2095	2.268	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	109.2900	0.000	1	109.2900	0.000	1	110.0570	1.177	2	111.2095	2.268	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(COO)	C(C[6]C[6]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCH)(H)2	110.8240	0.000	1	110.8240	0.000	1	110.0570	1.177	2	111.2095	2.268	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:O-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6a]CO)(CC[6]CO)(H)2	C(CC[6]CO)2(H)2	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	108.5880	0.153	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(CH3)(H)2	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	108.5880	0.153	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	C(CC[6a]CC)(CF3)(OC)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	C(CC[6a]CC)(CF3)(OC)(H)	C(CC[6a]CC)(H)3	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:3:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	C(CC[6a]CC)(CCHH)(COO)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	C(CC[6a]CC)(CCHH)(COO)(H)	C(CC[6a]CC)(H)3	112.0390	0.450	2	112.0390	0.202	2	112.0390	0.202	2	112.0390	0.202	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	2:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Pd)(CHHO)(CH3)2	C(OC[6])(CCCN)(H)2	C(CCCN)(H)3	C(NC[5]Pd)(CHHO)(CH3)2	C(OC[6])(CCCN)(H)2	C(CCCN)(H)3	107.9065	1.421	2	107.9065	2.018	2	107.9065	2.018	2	107.9065	2.018	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:3:4:2:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C(C[5a]N[5a]2)2(CC[5a]CC)(OC)	C(CC[5a]CC)(H)3	110.0640	0.107	4	110.0640	0.012	4	110.0640	0.012	4	110.5875	3.189	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:3:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(F)3	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	110.5875	3.189	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:3:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(H)3	107.2440	0.000	1	107.2440	0.000	1	110.7690	9.347	3	110.5875	3.189	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:3:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(H)3	112.5315	0.235	2	112.5315	0.055	2	110.7690	9.347	3	110.5875	3.189	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:3:4:2:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(NCH)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(C[6a]C[6a]2)2(CC[6a]CC)(OH)	C(CC[6a]CC)(NCH)(H)2	112.6975	1.201	2	112.6975	1.443	2	112.6975	1.443	2	112.6975	1.443	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CCu2C)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	108.3155	0.815	2	108.3155	0.665	2	108.3155	0.665	2	108.3155	0.665	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	110.3800	0.332	2	110.3800	0.110	2	110.3800	0.110	2	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	109.0135	2.351	2	109.0135	5.528	2	109.0135	5.528	2	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	108.6440	0.000	1	108.6440	0.000	1	108.7530	0.215	3	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	108.8075	0.641	2	108.8075	0.411	2	108.7530	0.215	3	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6]N)(CCCN)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6]N)(CCCN)(H)2	C(CCCN)(H)3	110.1075	2.391	2	110.1075	5.716	2	110.1075	5.716	2	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C(N[5a]C[5a]N[5a])(CN[5a]CC)(H)2	C(CN[5a]CC)(H)3	109.8500	3.142	2	109.8500	9.875	2	109.8500	9.875	2	109.5419	2.632	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(CCCH)(H)2	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	106.0170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(F)3	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.3613	2.360	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(H)3	108.1220	0.000	1	108.1220	0.000	1	109.6010	4.375	2	109.3613	2.360	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(H)3	111.0800	0.000	1	111.0800	0.000	1	109.6010	4.375	2	109.3613	2.360	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:2:1:	4:2:2:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:O-2:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(OC)2(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(OH)(H)	C(CC[6a]CC)(OC)2(H)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:3:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C[6a]-3:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(CC[5]CC)(H)3	111.3985	3.450	2	111.3985	11.902	2	111.3985	11.902	2	111.3985	11.902	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:3:1:	4:2:1:1:	C[5a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(CC[5a]CC)(OH)(H)2	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:3:1:	4:4:1:1:	C[5a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(CC[5a]CC)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CC[5a]CC)(CCH)(H)	C(CC[5a]CC)(CHHO)(H)2	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(C[6a]C[6a]2)(PC[6a]RhC)(CC[5]CC)(H)	C(CC[5]CC)(H)3	112.4710	7.377	2	112.4710	54.413	2	112.4710	54.413	2	111.6962	41.843	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Al)(CCHN)(CH3)2	C(NC[6a]Al)(CCCN)(CH3)(H)	C(CCCN)(H)3	C(NC[6a]Al)(CCHN)(CH3)2	C(NC[6a]Al)(CCCN)(CH3)(H)	C(CCCN)(H)3	110.9215	8.289	2	110.9215	68.714	2	110.9215	68.714	2	111.6962	41.843	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:2:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[5]CC)(H)3	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	109.7560	4.280	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(F)3	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	109.7560	4.280	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(H)3	106.6640	0.000	1	106.6640	0.000	1	108.7680	8.854	2	109.7560	4.280	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:2:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(CC[6a]CC)(H)3	110.8720	0.000	1	110.8720	0.000	1	108.7680	8.854	2	109.7560	4.280	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:2:	4:2:1:1:	C[5]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(CH3)(OH)	C(CC[5]CC)(OH)(H)2	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(H)3	109.3810	0.000	1	109.3810	0.000	1	108.7855	0.709	2	108.7855	0.709	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:3:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(H)3	108.1900	0.000	1	108.1900	0.000	1	108.7855	0.709	2	108.7855	0.709	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:3:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(CH3)(H)2	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:3:	4:4:4:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(NCH)	C(CC[6a]CC)(CH3)2(H)	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	3:4:4:2:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(OH)	115.3150	0.000	1	115.3150	0.000	1	115.3150	0.000	1	115.3150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	111.8470	1.865	2	111.8470	3.480	2	111.8470	3.480	2	110.2977	3.159	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(H)3	110.3055	0.933	4	110.3055	0.871	4	109.7813	2.447	6	110.2977	3.159	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CC)(H)3	110.5110	0.000	1	110.5110	0.000	1	109.7813	2.447	6	110.2977	3.159	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(H)3	106.9550	0.000	1	106.9550	0.000	1	109.7813	2.447	6	110.2977	3.159	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CCFF)(H)2	106.9597	0.910	4	106.9597	0.828	4	108.3270	9.968	5	108.3270	9.968	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	3:4:4:4:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(C[6a]C[6a]2)(CC[6a]CC)(CC[6a]CO)(CH3)	C(CC[6a]CC)(CH3)(H)2	113.7960	0.000	1	113.7960	0.000	1	108.3270	9.968	5	108.3270	9.968	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[5]S)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[5]S)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	108.3243	0.715	3	108.3243	0.511	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[5]Se)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[5]Se)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	108.0950	0.742	3	108.0950	0.550	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[6a]N)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[6a]N)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.0307	1.935	3	107.0307	3.744	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BClB)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BClB)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.6327	0.849	3	107.6327	0.721	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BCrMn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BCrMn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	106.7737	0.472	3	106.7737	0.222	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BCuMn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BCuMn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	109.1793	0.268	6	109.1793	0.072	6	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BN[6]Mn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BN[6]Mn)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.4880	0.464	3	107.4880	0.215	3	107.9629	1.281	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]N[4]2)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]N[4]2)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	108.5337	0.218	3	108.5337	0.048	3	108.5337	0.048	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[5a]N[5a]2)(CH3)3	C(CB[5a]CC)(H)3	C(CB[5a]CC)(H)3	C(B[5a]N[5a]2)(CH3)3	C(CB[5a]CC)(H)3	C(CB[5a]CC)(H)3	107.9590	1.209	3	107.9590	1.461	3	107.9590	1.461	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	B[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[6a]C[6a]2)(CH3)3	C(CB[6a]CC)(H)3	C(CB[6a]CC)(H)3	C(B[6a]C[6a]2)(CH3)3	C(CB[6a]CC)(H)3	C(CB[6a]CC)(H)3	108.4083	0.637	15	108.4083	0.406	15	108.4083	0.406	15	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAgC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAgC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.3197	5.527	6	110.3197	30.543	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAlO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.9177	0.605	3	109.9177	0.367	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAlP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2107	0.202	3	109.2107	0.041	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1820	0.222	3	109.1820	0.049	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[3]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9686	0.412	17	108.9686	0.170	17	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[3]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7093	0.586	6	109.7093	0.343	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x3,4,3x5,14x6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[3x3,4,3x5,14x6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0272	2.078	24	108.0272	4.316	24	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[4]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.8267	0.645	3	107.8267	0.416	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[4]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3127	1.059	12	109.3127	1.120	12	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[4]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.9670	0.911	3	107.9670	0.831	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[4]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7690	0.584	3	109.7690	0.341	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7362	1.401	18	108.7362	1.962	18	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0593	1.183	32	109.0593	1.400	32	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]I)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]I)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1420	2.968	2	109.1420	8.812	2	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.5348	2.345	6	107.5348	5.498	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]O)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.5590	0.354	2	108.5590	0.125	2	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1736	1.511	26	109.1736	2.282	26	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]P[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]P[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.4127	2.623	3	107.4127	6.882	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]2)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]2)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.2995	2.866	6	106.2995	8.216	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2188	1.302	6	109.2188	1.694	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]C[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.6063	4.249	3	107.6063	18.058	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4208	1.417	42	109.4208	2.008	42	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5x3,5x5,20x6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5x3,5x5,20x6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.1157	2.231	3	108.1157	4.976	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8355	1.236	24	108.8355	1.527	24	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]I)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]I)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.2600	1.906	6	108.2600	3.633	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]O)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.7810	0.000	1	108.7810	0.000	1	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]O)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.7200	0.000	1	108.7200	0.000	1	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3135	1.220	6	109.3135	1.490	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]P[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]P[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.1243	1.869	3	107.1243	3.492	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3954	3.376	30	108.3954	11.396	30	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[4])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]C[4])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.2847	0.663	3	108.2847	0.439	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]C[5])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3223	1.730	21	108.3223	2.994	21	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6323	1.745	3	108.6323	3.045	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2930	0.572	36	109.2930	0.328	36	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1952	1.602	42	109.1952	2.567	42	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CClN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7638	0.528	6	109.7638	0.278	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCrH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCrH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0537	0.453	3	109.0537	0.205	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.3183	0.723	3	110.3183	0.523	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGe[6]P)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CGe[6]P)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6117	0.696	3	108.6117	0.485	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CIrP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CIrP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3873	0.762	12	109.3873	0.581	12	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMgP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMgP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3258	0.696	9	108.3258	0.484	9	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.5645	0.695	6	109.5645	0.482	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9080	0.676	6	108.9080	0.457	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7717	0.723	3	109.7717	0.522	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]S)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[4]S)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7930	1.316	21	108.7930	1.731	21	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7188	3.083	12	108.7188	9.507	12	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9018	1.559	99	108.9018	2.431	99	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]S)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]S)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4391	2.095	9	108.4391	4.391	9	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4983	0.691	3	109.4983	0.477	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3405	1.634	26	109.3405	2.669	26	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[6]N)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.6740	0.152	3	109.6740	0.023	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2135	2.319	6	109.2135	5.376	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNiO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4033	1.327	3	109.4033	1.760	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[5,5]C[6])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CP[5,5]C[6])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.4330	5.012	3	107.4330	25.122	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPtC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8302	4.688	21	108.8302	21.980	21	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CReC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CReC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9238	1.500	15	108.9238	2.251	15	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4447	2.267	3	109.4447	5.139	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.8487	3.667	3	107.8487	13.445	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRuC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.5238	0.735	6	109.5238	0.540	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSi2)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSi2)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.2120	0.891	6	107.2120	0.794	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSiC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7623	1.159	3	108.7623	1.343	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSi[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSi[6]O)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.2333	0.540	3	110.2333	0.292	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTaN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4785	0.821	6	109.4785	0.675	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5416	1.039	18	108.5416	1.080	18	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6317	0.768	6	108.6317	0.590	6	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3723	0.340	3	108.3723	0.115	3	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CZrC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7510	1.968	9	109.7510	3.871	9	108.9067	3.517	746	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]N)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	112.1975	0.295	2	112.1975	0.087	2	112.1975	0.087	2	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]C)(CH3)2(PC3)	C(CCCP)(H)3	C(CCCP)(H)3	C(CC[5]C)(CH3)2(PC3)	C(CCCP)(H)3	C(CCCP)(H)3	106.0820	0.000	1	106.0820	0.000	1	106.0820	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]C)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.4940	0.844	3	109.4940	0.712	3	109.4940	0.712	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:S-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N)(SCOO)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CC[6a]N)(SCOO)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C-3:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]H)(SiCCO)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	C(CC[5]H)(SiCCO)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,6]P[3])(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3,6]P[3])(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.3430	0.281	2	109.3430	0.079	2	109.8151	0.569	17	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]2)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	110.2023	1.089	3	110.2023	1.185	3	109.8151	0.569	17	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]P[3])(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]P[3])(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.7970	0.723	12	109.7970	0.523	12	109.8151	0.569	17	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[3a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(H)3	C(CC[3a]CC)(H)3	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(H)3	C(CC[3a]CC)(H)3	109.3811	0.278	16	109.3811	0.077	16	109.3811	0.077	16	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.3430	0.575	3	109.3430	0.331	3	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4,6]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7545	0.851	6	108.7545	0.724	6	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.8226	0.610	12	108.8226	0.372	12	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]N[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]N[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.3413	1.075	3	109.3413	1.156	3	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	110.3372	1.588	9	110.3372	2.521	9	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.2857	2.298	57	108.2857	5.281	57	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7679	2.664	12	108.7679	7.098	12	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.3032	2.325	11	108.3032	5.407	11	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	107.5836	1.708	5	107.5836	2.918	5	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]S[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]S[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7763	0.927	3	108.7763	0.860	3	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7581	0.764	9	108.7581	0.583	9	108.6107	4.034	130	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[3x5,6,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	107.7062	2.259	5	107.7062	5.104	5	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[4,5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	107.3668	2.843	5	107.3668	8.081	5	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	107.5977	2.650	3	107.5977	7.020	3	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]P[3x5,6]P[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	107.9493	1.627	3	107.9493	2.646	3	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]P[4,5,5,6]C[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	108.3950	2.373	6	108.3950	5.631	6	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]P[5,5,6]P[5,6])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	108.3182	0.582	18	108.3182	0.339	18	108.0526	2.861	40	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C(CC[5,6]C[5]C)(H)3	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C(CC[5,6]C[5]C)(H)3	C(CC[5,6]C[5]C)(H)3	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]B[4,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]B[4,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9820	0.601	3	108.9820	0.361	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3x5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[3x5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.4637	1.536	6	109.4637	2.358	6	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7778	1.329	12	108.7778	1.767	12	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1933	2.170	9	108.1933	4.710	9	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6,6]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6,6]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.7603	0.595	3	107.7603	0.353	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.9097	2.045	3	107.9097	4.182	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]P[3,5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[3,5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4907	2.034	3	108.4907	4.136	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5727	2.046	3	108.5727	4.186	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5,5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5,5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5337	0.940	3	108.5337	0.883	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2523	2.433	3	108.2523	5.921	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	105.1385	0.493	2	105.1385	0.243	2	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4678	1.506	163	108.4678	2.267	163	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.2810	0.000	1	107.2810	0.000	1	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1415	1.217	785	109.1415	1.481	785	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5])(CPdHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.4150	0.258	3	109.4150	0.067	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5540	0.779	48	109.5540	0.607	48	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.6143	2.588	39	107.6143	6.698	39	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.0823	1.831	3	108.0823	3.354	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5x3,6x5,20x6]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5x3,6x5,20x6]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.5264	1.533	12	107.5264	2.350	12	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]Ge[5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]Ge[5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4473	0.879	3	108.4473	0.773	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[3,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[3,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5399	1.053	51	109.5399	1.109	51	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9712	1.524	24	108.9712	2.321	24	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5]N[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1146	3.006	9	108.1146	9.035	9	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2735	1.184	6	109.2735	1.402	6	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6,6a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,6,6a]C[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1183	1.314	6	109.1183	1.726	6	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5102	1.086	89	109.5102	1.179	89	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4970	0.068	2	108.4970	0.005	2	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.9150	0.964	20	109.9150	0.929	20	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5])(CPdHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]O[5])(CPdHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.3303	0.895	8	109.3303	0.801	8	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2782	1.306	86	109.2782	1.707	86	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]O[5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5823	0.228	3	109.5823	0.052	3	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[3,5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7038	0.580	12	108.7038	0.337	12	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[5,5,6,6]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[5,5,6,6]P[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7288	0.366	6	108.7288	0.134	6	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7078	1.233	12	108.7078	1.519	12	109.0343	1.911	1441	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	109.4620	0.366	2	109.4620	0.134	2	109.4620	0.134	2	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	107.1355	0.110	2	107.1355	0.012	2	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.1716	0.792	48	109.1716	0.627	48	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.1200	0.000	1	109.1200	0.000	1	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.5740	0.000	1	108.5740	0.000	1	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.9332	1.291	30	108.9332	1.668	30	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]2)(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]2)(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.4762	1.677	46	108.4762	2.813	46	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[5a]2O)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	107.8800	0.000	2	107.8800	0.000	2	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.4330	0.000	1	109.4330	0.000	1	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.0387	1.199	606	109.0387	1.437	606	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.2650	0.000	1	109.2650	0.000	1	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]O[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]O[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.4791	0.912	12	109.4791	0.831	12	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	107.0533	0.381	4	107.0533	0.145	4	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.6361	0.830	15	108.6361	0.689	15	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5,5a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5,5a]N[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	107.8831	2.194	9	107.8831	4.813	9	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6,6a]C[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.2626	1.419	5	109.2626	2.013	5	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a,6]C[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a,6]C[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.3475	1.829	18	108.3475	3.345	18	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	108.3820	0.000	1	108.3820	0.000	1	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.3669	0.862	26	109.3669	0.744	26	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]O[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a]O[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	110.1773	0.476	12	110.1773	0.227	12	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]S[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	C(C[5a]N[5a]S[5a])(CH3)3	C(CC[5a]CC)(H)3	C(CC[5a]CC)(H)3	109.4420	1.382	3	109.4420	1.910	3	108.9958	1.552	843	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.4560	0.369	2	108.4560	0.136	2	108.4886	0.179	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]2Fe)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.9660	0.304	4	108.9660	0.092	4	108.4886	0.179	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]Fe)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.1930	0.100	4	108.1930	0.010	4	108.4886	0.179	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C(CC[5a]C[5]C)(H)3	C(CC[5a]C[5]C)(H)3	108.4414	0.427	14	108.4414	0.183	14	108.4886	0.179	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	107.6276	0.500	7	107.6276	0.250	7	107.6800	0.216	9	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	C(C[5a]C[5a]N[5a])(C[6]C[6]2Sm)(CH3)2	C(CC[5a]C[6]C)(H)3	C(CC[5a]C[6]C)(H)3	107.8635	0.375	2	107.8635	0.141	2	107.6800	0.216	9	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	109.0633	0.978	6	109.0633	0.957	6	108.6521	0.830	12	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	C(C[6,6]P[3,6,6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	107.8250	0.400	3	107.8250	0.160	3	108.6521	0.830	12	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	C(C[6,6]P[4,3x6]P[6,6])(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	108.6567	0.693	3	108.6567	0.480	3	108.6521	0.830	12	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.1568	3.312	21	108.1568	10.971	21	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]P[3x6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5,6]P[3x6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	106.5277	2.070	3	106.5277	4.285	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5a,6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.3097	1.011	3	107.3097	1.023	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.3424	3.017	9	107.3424	9.104	9	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.2982	1.660	30	108.2982	2.756	30	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.4690	3.589	3	107.4690	12.879	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.0902	1.901	5	107.0902	3.613	5	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.8290	0.000	1	109.8290	0.000	1	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.6974	1.859	3034	108.6974	3.457	3034	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CHHW)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CHHW)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.0820	0.000	1	108.0820	0.000	1	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CYbHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CYbHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.4455	0.422	2	107.4455	0.178	2	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.6820	0.000	1	108.6820	0.000	1	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.7623	1.551	303	108.7623	2.405	303	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.1603	0.884	3	109.1603	0.782	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.4325	0.668	2	108.4325	0.447	2	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.3364	1.309	76	109.3364	1.712	76	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]Ge[6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.9123	1.178	3	107.9123	1.388	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[4,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]N[4,6]C[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.5023	0.843	3	108.5023	0.710	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]N[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.0127	0.586	9	109.0127	0.343	9	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]N[6]O[6])(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.7950	0.050	3	109.7950	0.002	3	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]P[6]2)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.2920	1.324	9	108.2920	1.754	9	108.6999	3.377	3524	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	109.1520	0.000	2	109.1520	0.000	2	109.1520	0.000	2	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CClHH)(CH3)2	C(CC[6a]CC)(Cl)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CClHH)(CH3)2	C(CC[6a]CC)(Cl)(H)2	C(CC[6a]CC)(H)3	107.7115	0.432	2	107.7115	0.187	2	108.2527	0.972	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(Cl)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(Cl)(H)2	C(CC[6a]CC)(H)3	109.3350	0.000	1	109.3350	0.000	1	108.2527	0.972	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	107.3953	2.459	4	107.3953	6.049	4	106.4323	4.585	7	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	104.7130	0.000	1	104.7130	0.000	1	106.4323	4.585	7	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CO)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	104.9040	0.000	1	104.9040	0.000	1	106.4323	4.585	7	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CF3)(CH3)	C(CC[6a]CC)(F)3	C(CC[6a]CC)(H)3	105.8280	0.000	1	105.8280	0.000	1	106.4323	4.585	7	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[4,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[4,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.6039	0.892	15	108.6039	0.796	15	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.4631	1.206	304	108.4631	1.455	304	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5,6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	109.3590	2.117	2	109.3590	4.482	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5,6a]O[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5,6a]O[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	109.8730	1.771	2	109.8730	3.135	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.4780	1.324	84	108.4780	1.753	84	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[5a,6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[5a,6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.9172	1.026	6	108.9172	1.052	6	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.2943	1.515	259	108.2943	2.295	259	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.6465	3.002	21	107.6465	9.012	21	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.8375	2.420	33	107.8375	5.858	33	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a,6a]N[6a])(CF3)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	109.5855	3.572	2	109.5855	12.756	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	105.4920	0.000	1	105.4920	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.0858	1.061	73	107.0858	1.125	73	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.4330	0.000	1	107.4330	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHW)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHW)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.6600	0.000	1	107.6600	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.1770	0.000	1	108.1770	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	104.9270	0.000	1	104.9270	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.8700	0.000	1	108.8700	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CClHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CClHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	105.3000	0.000	1	105.3000	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCoHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCoHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.5613	1.316	4	107.5613	1.731	4	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.3393	1.882	20758	108.3393	3.540	20758	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	106.5815	0.182	2	106.5815	0.033	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.1840	0.000	1	107.1840	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CMnHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CMnHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.0985	0.779	2	107.0985	0.606	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.3000	0.000	1	107.3000	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.1315	0.385	2	108.1315	0.149	2	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CNiHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNiHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.4700	0.511	5	108.4700	0.261	5	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CPdHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPdHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.3061	1.018	17	108.3061	1.036	17	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CPtHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CPtHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	107.9630	0.000	1	107.9630	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CSnHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CSnHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.0766	0.810	48	108.0766	0.655	48	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CTaHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CTaHH)(CH3)2	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	106.9810	0.000	1	106.9810	0.000	1	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	108.5841	1.851	75	108.5841	3.426	75	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]O[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]C[6a]O[6a])(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	109.3812	0.415	6	109.3812	0.172	6	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]N[6a]2)(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	C(C[6a]N[6a]2)(CH3)3	C(CC[6a]CC)(H)3	C(CC[6a]CC)(H)3	109.1841	1.794	11	109.1841	3.217	11	108.3360	3.482	21742	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2U)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2U)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	107.0510	2.245	3	107.0510	5.038	3	107.3850	2.895	5	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2Y)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[6a]C[6a]2)(C[5]C[5]2Y)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	107.8860	0.817	2	107.8860	0.668	2	107.3850	2.895	5	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C(CC[6a]C[6]C)(H)3	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)2	C(CC[6a]C[6]C)(H)3	C(CC[6a]C[6]C)(H)3	107.5969	0.966	28	107.5969	0.932	28	107.5969	0.932	28	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	105.0400	0.000	1	105.0400	0.000	1	109.5435	3.868	11	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]SnH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NC[6a]SnH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	106.9840	0.000	1	106.9840	0.000	1	109.5435	3.868	11	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NIrHH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NIrHH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.2910	0.942	8	110.2910	0.887	8	109.5435	3.868	11	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(NRhHH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(NRhHH)(CH3)2	C(CC[6a]CN)(H)3	C(CC[6a]CN)(H)3	110.6260	0.000	1	110.6260	0.000	1	109.5435	3.868	11	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C(CC[6a]SiC)(H)3	C(CC[6a]SiC)(H)3	C(C[6a]C[6a]2)(SiC[5]CC)(CH3)2	C(CC[6a]SiC)(H)3	C(CC[6a]SiC)(H)3	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	107.9784	1.126	40	107.9784	1.269	40	108.1482	0.991	63	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaCP)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaCP)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	108.4435	0.633	23	108.4435	0.401	23	108.1482	0.991	63	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[6]N[6,6a]N[6])(CH3)3	C(CGe[6]CC)(H)3	C(CGe[6]CC)(H)3	C(Ge[6]N[6,6a]N[6])(CH3)3	C(CGe[6]CC)(H)3	C(CGe[6]CC)(H)3	108.6847	0.655	3	108.6847	0.429	3	108.6847	0.429	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1028	0.546	6	109.1028	0.298	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4079	2.192	48	109.4079	4.806	48	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8973	0.734	24	108.8973	0.539	24	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9346	1.184	9	108.9346	1.401	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NB[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2007	1.714	9	109.2007	2.938	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[5a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NB[5a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1557	0.324	3	109.1557	0.105	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NBiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8770	1.536	36	109.8770	2.360	36	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3,5]Hf)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3,5]Hf)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.2560	1.492	3	108.2560	2.227	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3]Hf)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3]Hf)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6927	0.249	3	108.6927	0.062	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3x3,3x5,12x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6900	0.761	3	109.6900	0.579	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.9842	0.747	6	110.9842	0.558	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[4]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4270	1.819	22	109.4270	3.310	22	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Al)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Al)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8060	2.121	6	108.8060	4.500	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7494	1.066	8	108.7494	1.136	8	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Cu)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Cu)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5117	1.534	3	108.5117	2.354	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.6760	0.000	1	108.6760	0.000	1	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0332	1.129	78	110.0332	1.274	78	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.8692	0.605	6	110.8692	0.367	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Pd)(CHHO)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Pd)(CHHO)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	112.4230	0.000	1	112.4230	0.000	1	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5470	3.791	3	108.5470	14.368	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6383	0.645	3	108.6383	0.416	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]Zn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5]Zn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3397	3.045	6	110.3397	9.269	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4820	1.313	6	109.4820	1.724	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.6775	0.596	2	108.6775	0.355	2	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8019	0.976	93	109.8019	0.953	93	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5a]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8911	0.691	9	109.8911	0.478	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5x3,3x5,11x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5x3,3x5,11x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3053	0.961	3	109.3053	0.924	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5x3,5x5,5x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[5x3,5x5,5x6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3265	1.359	15	109.3265	1.847	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0939	1.082	51	110.0939	1.170	51	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1812	1.917	72	110.1812	3.675	72	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4528	3.566	6	108.4528	12.713	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]V)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]V)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6691	1.423	24	108.6691	2.025	24	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0670	0.978	6	109.0670	0.956	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Al)(CCHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Al)(CCHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	99.8236	0.000	1	99.8236	0.000	1	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]B)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]B)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.6797	1.327	3	107.6797	1.760	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.1303	1.959	18	108.1303	3.838	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Co)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Co)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2362	2.732	6	109.2362	7.465	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Fe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Fe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8177	2.385	6	108.8177	5.689	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.4512	1.035	18	109.4512	1.072	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8345	1.328	64	109.8345	1.765	64	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Mo)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Mo)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0844	1.144	122	109.0844	1.310	122	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Nb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Nb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8254	1.246	9	108.8254	1.554	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Ni)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Ni)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2357	2.856	6	109.2357	8.155	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]O)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0381	1.209	178	110.0381	1.462	178	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]Sn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]Sn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6035	2.606	8	108.6035	6.791	8	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NClC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NClC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1090	1.842	3	110.1090	3.392	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5793	1.122	20	109.5793	1.259	20	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1302	0.741	26	110.1302	0.549	26	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.3628	1.426	11	108.3628	2.034	11	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7414	1.563	56	108.7414	2.441	56	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7324	1.422	18	108.7324	2.023	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4923	1.287	21	108.4923	1.655	21	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8795	0.926	31	109.8795	0.858	31	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NDyC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NDyC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4743	1.198	3	109.4743	1.436	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NErC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NErC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6827	1.720	3	109.6827	2.960	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NEuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NEuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8972	0.594	6	109.8972	0.353	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7889	0.846	15	109.7889	0.715	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9842	1.412	43	108.9842	1.993	43	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2677	1.809	21	110.2677	3.272	21	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6007	0.734	3	108.6007	0.538	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGaSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NGaSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7272	1.251	9	108.7272	1.564	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGdC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NGdC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7568	1.730	9	108.7568	2.994	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NGeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0018	1.430	6	109.0018	2.044	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHfC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NHfC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9895	0.819	12	109.9895	0.671	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHfIr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NHfIr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3613	3.477	3	109.3613	12.092	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHfSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NHfSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5603	0.524	15	108.5603	0.274	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NInSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NInSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0297	0.802	6	109.0297	0.643	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NIrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5405	1.123	6	108.5405	1.260	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NIrH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0893	1.171	3	110.0893	1.371	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrTi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NIrTi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9653	1.292	3	109.9653	1.669	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6660	2.458	18	108.6660	6.040	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.2129	0.392	12	108.2129	0.154	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7009	0.567	9	108.7009	0.321	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.3990	0.396	3	107.3990	0.156	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiU)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiU)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5970	0.539	9	108.5970	0.291	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLuP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLuP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7572	0.916	12	108.7572	0.838	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1603	1.759	18	109.1603	3.094	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9903	0.574	12	108.9903	0.330	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7025	0.995	6	108.7025	0.991	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.6020	0.786	6	107.6020	0.618	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0290	0.744	6	110.0290	0.554	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMoC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8635	1.998	15	109.8635	3.991	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMoH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1080	0.479	3	110.1080	0.230	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMoP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6730	0.257	3	108.6730	0.066	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMoSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4598	1.093	6	109.4598	1.196	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNbH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNbH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8100	0.803	2	109.8100	0.645	2	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[4,6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[4,6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8587	0.330	3	109.8587	0.109	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[5x3]Rh)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[5x3]Rh)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3177	0.849	3	109.3177	0.720	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6]B[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6]B[5])(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6927	1.786	6	108.6927	3.190	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0083	1.289	6	110.0083	1.662	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6]Li)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6]Li)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8593	0.104	3	109.8593	0.011	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNb[6]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1413	0.617	6	109.1413	0.381	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8258	0.902	40	109.8258	0.814	40	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9303	0.492	21	109.9303	0.243	21	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4813	1.095	6	108.4813	1.199	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NOsC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NOsC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5968	1.167	9	109.5968	1.362	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Al)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Al)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7447	2.268	3	108.7447	5.145	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7628	1.140	174	109.7628	1.300	174	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Mg)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Mg)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.0553	1.493	12	108.0553	2.230	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Ni)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Ni)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4286	1.260	5	109.4286	1.589	5	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5753	1.192	6	108.5753	1.421	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Sb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Sb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1283	1.284	24	109.1283	1.648	24	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Ti)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4973	0.788	12	109.4973	0.621	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Zr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0739	0.715	9	109.0739	0.511	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7406	0.925	57	109.7406	0.855	57	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0500	1.110	60	110.0500	1.232	60	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdSe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdSe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.6632	0.714	6	110.6632	0.510	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPtC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0665	1.673	15	110.0665	2.799	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NRhB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7462	1.233	15	108.7462	1.520	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NRhC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4241	1.577	9	109.4241	2.487	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NRuC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4388	2.853	21	108.4388	8.139	21	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSb2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSb2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6639	1.668	24	109.6639	2.783	24	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSbB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3612	1.153	21	109.3612	1.330	21	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSbC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0220	0.854	86	110.0220	0.730	86	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSbSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2783	0.567	6	109.2783	0.321	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NScC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NScC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3213	0.269	3	110.3213	0.072	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NScP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NScP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0674	0.914	18	109.0674	0.836	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NScSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NScSi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6369	0.627	12	108.6369	0.393	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2373	1.050	29	110.2373	1.102	29	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiB)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3823	1.381	15	109.3823	1.907	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6491	1.604	27	108.6491	2.572	27	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4739	4.117	9	108.4739	16.948	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0053	0.676	12	109.0053	0.457	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiTi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiTi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7008	0.889	47	108.7008	0.790	47	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiZn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiZn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.3900	0.368	3	108.3900	0.136	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiZr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiZr)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5668	1.320	40	108.5668	1.743	40	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[4,5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6388	1.925	9	108.6388	3.708	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[4]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6991	2.297	12	108.6991	5.277	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[4]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2393	0.734	6	109.2393	0.539	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[4]P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5415	2.444	6	108.5415	5.975	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[5,5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[5,5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.9087	1.948	3	107.9087	3.796	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[5]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.1210	0.445	3	108.1210	0.198	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[5]Li)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[5]Li)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.8797	0.556	3	107.8797	0.309	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[5]Si)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.1277	2.961	6	108.1277	8.769	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[6]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[6]C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.2430	1.834	3	108.2430	3.363	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSi[6]H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.4814	0.668	9	109.4814	0.446	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSmP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSmP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5806	0.754	11	108.5806	0.569	11	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSn2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSn2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8553	0.279	3	108.8553	0.078	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1710	1.140	51	109.1710	1.299	51	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1247	1.168	3	109.1247	1.364	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9445	0.756	15	109.9445	0.572	15	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnTe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnTe)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5787	0.709	6	109.5787	0.502	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1975	0.416	6	110.1975	0.173	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTaH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTaH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5131	0.640	9	109.5131	0.410	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTe2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7157	0.414	6	109.7157	0.172	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTeC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.5567	1.466	3	110.5567	2.150	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTeH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTeH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3380	1.512	3	110.3380	2.285	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NThC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NThC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3313	1.202	9	109.3313	1.445	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTiC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6750	1.771	45	109.6750	3.135	45	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NTiP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9503	1.500	6	108.9503	2.249	6	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NYbC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NYbC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.9393	2.427	18	107.9393	5.892	18	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0340	0.507	12	110.0340	0.257	12	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9169	0.623	9	108.9169	0.388	9	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnS)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.3953	0.939	3	108.3953	0.882	3	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZrC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7682	1.253	55	109.7682	1.570	55	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZrH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZrH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3243	1.071	7	109.3243	1.147	7	109.4415	2.151	2728	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]B[3]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]B[3]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	110.1100	0.647	3	110.1100	0.419	3	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]C[3]2)(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]C[3]2)(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.9818	1.088	9	109.9818	1.184	9	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.4685	0.584	6	109.4685	0.341	6	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.1694	0.745	12	109.1694	0.555	12	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.4356	1.081	15	109.4356	1.168	15	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	108.7523	1.572	6	108.7523	2.471	6	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,6]B[3,5])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]B[3,5])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	107.6013	1.673	3	107.6013	2.801	3	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,6]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	111.1205	0.660	6	111.1205	0.435	6	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3]C[3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.8297	1.562	3	109.8297	2.439	3	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]2)(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[3x3]2)(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	109.0440	1.497	6	109.0440	2.241	6	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Nb[6x3]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Nb[6x3]C[3,3])(CH3)3	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	110.0623	1.827	3	110.0623	3.339	3	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CN[3]CC)(H)3	C(CN[3]CC)(H)3	110.6190	0.000	1	110.6190	0.000	1	109.5225	1.606	73	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4,6]P[4,6,6]2)(CH3)3	C(CN[4,6]CC)(H)3	C(CN[4,6]CC)(H)3	C(N[4,6]P[4,6,6]2)(CH3)3	C(CN[4,6]CC)(H)3	C(CN[4,6]CC)(H)3	109.8637	0.426	18	109.8637	0.182	18	109.8637	0.182	18	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]As[4,4]B[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.8021	0.904	12	109.8021	0.816	12	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]As[4]B[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]As[4]B[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.7963	1.550	6	109.7963	2.401	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]B[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.7452	0.740	12	109.7452	0.548	12	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]B[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3947	1.034	3	109.3947	1.070	3	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]C[4,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.1657	0.266	6	110.1657	0.071	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.3608	0.700	15	110.3608	0.490	15	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]O[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]C[4]O[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.5042	0.816	9	110.5042	0.665	9	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.4197	0.808	3	109.4197	0.653	3	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ga[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3020	0.532	3	109.3020	0.284	3	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.5132	0.966	102	109.5132	0.934	102	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.7079	0.674	27	109.7079	0.454	27	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]S[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.3181	0.584	24	110.3181	0.341	24	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.2631	0.553	68	109.2631	0.305	68	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]In[4,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]In[4,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	108.9410	1.225	12	108.9410	1.501	12	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Nb[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Nb[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	108.8720	1.893	3	108.8720	3.582	3	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.0107	1.191	3	110.0107	1.419	3	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4,5]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4,5]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.4786	1.548	12	109.4786	2.396	12	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4,6]Si[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4,6]Si[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.4925	0.588	6	109.4925	0.346	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.9770	0.885	673	109.9770	0.783	673	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Se[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Se[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.0073	0.787	6	110.0073	0.620	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Se[4]S[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Se[4]S[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.2339	0.527	11	110.2339	0.278	11	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,3,4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[3,3,4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3682	1.404	6	109.3682	1.971	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3402	0.986	36	109.3402	0.973	36	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3403	1.087	18	109.3403	1.181	18	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.1818	0.802	6	109.1818	0.643	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	108.7765	1.685	6	108.7765	2.839	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.1958	1.194	69	109.1958	1.426	69	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,5,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.2912	0.773	6	109.2912	0.597	6	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.1714	0.836	24	109.1714	0.699	24	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.5301	1.169	29	109.5301	1.366	29	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4]2)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	108.8306	1.004	12	108.8306	1.007	12	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.6870	1.228	778	109.6870	1.507	778	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.3524	1.074	77	109.3524	1.153	77	109.7158	1.169	2083	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	109.2040	0.850	3	109.2040	0.722	3	108.9393	1.032	9	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	C(N[5,5]N[5,5,6,6]Ga[5,5,6])(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	108.8070	1.140	6	108.8070	1.299	6	108.9393	1.032	9	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]As[5]Si[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]As[5]Si[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.0417	0.828	6	109.0417	0.686	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]B[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.6735	1.225	48	108.6735	1.501	48	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.0596	1.548	11	109.0596	2.396	11	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.1843	2.251	6	110.1843	5.067	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.6543	1.505	33	109.6543	2.264	33	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.7816	1.416	27	109.7816	2.005	27	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6]O[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6]O[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.6647	0.788	3	109.6647	0.621	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6a]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1991	1.981	24	109.1991	3.924	24	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]Ge[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Ge[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.0530	2.022	23	109.0530	4.087	23	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5,6a]Se[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5,6a]Se[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	111.0837	0.883	3	111.0837	0.779	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	105.2200	0.000	1	105.2200	0.000	1	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.9238	1.692	2214	109.9238	2.862	2214	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.2017	0.647	3	109.2017	0.419	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CIrHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.1740	0.850	5	110.1740	0.723	5	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.0840	0.000	1	110.0840	0.000	1	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CRhHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.1450	0.093	3	110.1450	0.009	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuHH)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.9750	0.892	3	109.9750	0.796	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]N[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.6807	1.080	48	110.6807	1.167	48	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]O[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.8732	0.890	9	109.8732	0.792	9	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]P[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.4226	1.138	66	109.4226	1.294	66	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]S[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.4786	1.470	15	109.4786	2.160	15	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Ga[4,5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Ga[4,5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1748	1.584	40	109.1748	2.509	40	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.7069	1.186	39	109.7069	1.406	39	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Ge[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.0876	2.832	60	109.0876	8.021	60	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5,6])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.0307	1.251	3	109.0307	1.564	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]N[5,5,6]Ga[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]N[5,5,6]Ga[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.9810	0.975	3	108.9810	0.950	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]N[5]2)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	111.4834	1.146	24	111.4834	1.314	24	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.7463	0.823	3	108.7463	0.677	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Nb[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Nb[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.9630	2.928	6	108.9630	8.576	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]P[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]P[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.4773	3.751	3	109.4773	14.069	3	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Se[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	111.1577	1.138	35	111.1577	1.294	35	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1510	0.181	2	109.1510	0.033	2	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[3,3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[3,3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.6512	2.709	6	108.6512	7.338	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[3,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	107.8443	1.261	11	107.8443	1.589	11	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[3x5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[3x5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.8745	0.989	6	108.8745	0.978	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[4,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1076	1.280	9	109.1076	1.638	9	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[5,5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	108.8578	1.756	12	108.8578	3.084	12	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[5]C[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1489	1.137	44	109.1489	1.293	44	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Si[5]P[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]Si[5]P[5])(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.2460	1.242	6	109.2460	1.543	6	109.8365	2.924	2864	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]B[5a,6a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]B[5a,6a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.8857	0.924	9	109.8857	0.853	9	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]B[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]B[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.1426	1.111	27	109.1426	1.234	27	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5,5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5,5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.0383	2.206	3	109.0383	4.866	3	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.8990	0.886	12	109.8990	0.786	12	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.2940	1.653	5	109.2940	2.732	5	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.8558	1.359	6	109.8558	1.846	6	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	110.7250	0.785	3	110.7250	0.616	3	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.2715	0.558	2	109.2715	0.311	2	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.4781	1.912	30	109.4781	3.657	30	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	110.4613	1.655	3	110.4613	2.738	3	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.8520	1.561	95	109.8520	2.437	95	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	107.6127	0.272	3	107.6127	0.074	3	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	110.2394	1.362	72	110.2394	1.855	72	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CN[5a]HH)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	111.1260	0.000	1	111.1260	0.000	1	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.9055	0.115	2	109.9055	0.013	2	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]Ge[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]Ge[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	108.8740	2.705	36	108.8740	7.319	36	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]N[5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]N[5a]2)(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	111.1617	0.157	6	111.1617	0.025	6	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]Si[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	C(N[5a]Si[5a]C[5a])(CH3)3	C(CN[5a]CC)(H)3	C(CN[5a]CC)(H)3	109.0788	0.879	6	109.0788	0.772	6	109.7247	2.836	321	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	109.4069	1.315	21	109.4069	1.730	21	109.2883	1.734	27	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	C(CN[6,6]CC)(H)3	108.8732	1.353	6	108.8732	1.829	6	109.2883	1.734	27	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.5253	1.767	24	108.5253	3.121	24	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.8880	0.000	1	109.8880	0.000	1	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6,6a]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.4280	3.462	3	108.4280	11.983	3	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.8921	1.845	77	108.8921	3.406	77	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]N[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]N[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.4903	1.604	3	109.4903	2.572	3	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]O[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]O[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	110.9263	0.683	6	110.9263	0.466	6	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.2303	1.131	6	109.2303	1.280	6	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.8930	1.807	12	108.8930	3.266	12	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Nb[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]Nb[6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.8257	2.585	3	108.8257	6.680	3	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.7712	1.624	6	109.7712	2.637	6	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Se[6]2)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]Se[6]2)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.8633	2.137	3	109.8633	4.566	3	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]Si[4,6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]Si[4,6]C[6])(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	108.0923	1.871	3	108.0923	3.501	3	108.9767	3.335	147	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	108.4666	3.234	15	108.4666	10.460	15	108.6133	7.541	38	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	106.8070	3.339	2	106.8070	11.149	2	108.6133	7.541	38	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	108.7640	2.478	18	108.7640	6.142	18	108.6133	7.541	38	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]N[6a])(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)3	C(CN[6a]CC)(H)3	C(CN[6a]CC)(H)3	109.6473	1.812	3	109.6473	3.283	3	108.6133	7.541	38	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OAlBa)(CF3)3	C(CCCO)(F)3	C(CCCO)(F)3	C(OAlBa)(CF3)3	C(CCCO)(F)3	C(CCCO)(F)3	109.1675	0.988	2	109.1675	0.976	2	108.9784	0.456	5	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OInLi)(CCHH)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	C(OInLi)(CCHH)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	109.4490	0.000	1	109.4490	0.000	1	108.9784	0.456	5	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OLiMg)(CF3)2(CH3)	C(CCCO)(F)3	C(CCCO)(F)3	C(OLiMg)(CF3)2(CH3)	C(CCCO)(F)3	C(CCCO)(F)3	108.5540	0.443	2	108.5540	0.196	2	108.9784	0.456	5	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(OLiMg)(CF3)2(CH3)	C(CCCO)(F)3	C(CCCO)(H)3	C(OLiMg)(CF3)2(CH3)	C(CCCO)(F)3	C(CCCO)(H)3	108.5938	0.517	4	108.5938	0.267	4	108.5938	0.267	4	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAl2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OAl2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.1273	1.487	6	110.1273	2.213	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OAlMg)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OAlMg)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4777	1.998	12	110.4777	3.993	12	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OBiC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OBiC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.4001	0.901	18	111.4001	0.812	18	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCrLi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OCrLi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.6597	0.937	6	109.6597	0.877	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ODyC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(ODyC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.4300	2.590	3	111.4300	6.708	3	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OFe2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OFe2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.7533	0.798	6	110.7533	0.636	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OInSn)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OInSn)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4007	1.095	6	110.4007	1.198	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiPb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLiPb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.7198	1.003	6	109.7198	1.007	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLiSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9362	0.525	6	110.9362	0.276	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLuSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLuSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.2737	0.807	6	111.2737	0.651	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OMg2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OMg2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.9309	0.556	15	109.9309	0.309	15	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OMgC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OMgC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.1028	1.082	6	111.1028	1.170	6	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OMoSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OMoSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.3050	0.950	3	111.3050	0.903	3	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(ONdSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(ONdSi)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4010	1.629	3	110.4010	2.652	3	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSbC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OSbC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.4642	0.885	11	111.4642	0.783	11	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSiYb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OSiYb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9970	0.913	30	110.9970	0.833	30	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OSn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OSn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.6220	3.370	3	111.6220	11.359	3	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OZn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.4649	0.624	32	110.4649	0.389	32	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZrC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OZrC)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9093	1.851	3	110.9093	3.427	3	110.7272	1.384	181	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	O[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(O[4]In[4]2)(CHHO)(CH3)2	C(CO[4]CC)(H)3	C(CO[4]CC)(H)3	C(O[4]In[4]2)(CHHO)(CH3)2	C(CO[4]CC)(H)3	C(CO[4]CC)(H)3	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAlC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAlC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5373	1.326	25	108.5373	1.758	25	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3813	1.338	12	108.3813	1.790	12	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBiSb)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBiSb)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5467	0.281	3	109.5467	0.079	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.6595	3.005	6	107.6595	9.032	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]S)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]S)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5672	1.749	6	109.5672	3.058	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3437	0.876	6	109.3437	0.767	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2123	1.287	48	108.2123	1.658	48	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]Cl)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]Cl)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.9753	0.157	3	109.9753	0.025	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8570	0.466	3	109.8570	0.217	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4754	0.686	30	109.4754	0.471	30	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4380	0.809	2	109.4380	0.654	2	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6867	0.958	12	108.6867	0.917	12	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.2655	1.340	6	110.2655	1.797	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1739	1.292	24	109.1739	1.668	24	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1392	1.114	12	109.1392	1.241	12	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	107.3000	0.124	2	107.3000	0.015	2	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6993	1.268	59	108.6993	1.608	59	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]Cl)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]Cl)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8585	0.306	6	109.8585	0.094	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0198	0.989	12	109.0198	0.978	12	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0218	1.779	6	109.0218	3.165	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClGe)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PClGe)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5353	1.402	3	109.5353	1.966	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PClN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.9037	0.457	3	109.9037	0.209	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PGaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PGaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.1300	0.408	3	110.1300	0.166	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2986	0.965	22	108.2986	0.931	22	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PGe[4]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PGe[4]2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4333	0.310	3	109.4333	0.096	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PGe[4]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PGe[4]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6538	1.140	6	108.6538	1.299	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6124	1.053	98	108.6124	1.108	98	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3809	1.146	18	108.3809	1.314	18	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[6]C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7846	0.816	17	108.7846	0.667	17	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]P)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[6]P)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1582	1.027	6	109.1582	1.054	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POsC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(POsC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8743	4.991	3	108.8743	24.910	3	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSeC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4586	1.190	23	108.4586	1.416	23	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PTiP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5878	1.296	6	108.5878	1.679	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PZrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.6920	1.355	6	107.6920	1.837	6	108.7469	1.617	500	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]P[3])(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]P[3])(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	110.0560	2.386	3	110.0560	5.694	3	110.0560	5.694	3	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]As[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]As[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.6620	0.442	6	109.6620	0.195	6	109.7673	0.629	74	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]2)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.6568	0.922	12	109.6568	0.849	12	109.7673	0.629	74	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.6163	0.672	3	109.6163	0.451	3	109.7673	0.629	74	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]Ga[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]Ga[4]P[4])(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.4792	0.680	11	109.4792	0.462	11	109.7673	0.629	74	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]P[4]2)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.9002	0.829	42	109.9002	0.687	42	109.7673	0.629	74	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.2330	0.317	3	110.2330	0.101	3	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]P[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]P[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.8277	1.219	6	109.8277	1.487	6	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.5727	0.649	3	108.5727	0.421	3	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Ge[5,6]C[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]Ge[5,6]C[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.5977	0.816	3	109.5977	0.665	3	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5]P[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]N[5]P[5])(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.1580	0.280	3	110.1580	0.078	3	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]P[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.9160	0.796	3	109.9160	0.633	3	109.7332	0.839	21	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]2)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	108.4600	1.046	3	108.4600	1.094	3	109.3613	0.717	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6])(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.3666	0.704	18	109.3666	0.495	18	109.3613	0.717	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]Se[6]2)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]Se[6]2)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	110.2307	0.768	3	110.2307	0.590	3	109.3613	0.717	24	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SAlLi)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SAlLi)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.4028	1.259	12	110.4028	1.585	12	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.4063	1.095	18	111.4063	1.199	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5]Pd)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5]Pd)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.2142	5.059	15	111.2142	25.590	15	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5]Pt)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5]Pt)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9759	1.352	18	110.9759	1.827	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5]W)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[5]W)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.2600	0.355	3	111.2600	0.126	3	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]Cu)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]Cu)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.8650	0.871	18	110.8650	0.759	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.3382	0.974	54	111.3382	0.949	54	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]Pd)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]Pd)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.1794	0.713	9	111.1794	0.508	9	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]Ru)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]Ru)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.6650	0.801	3	111.6650	0.641	3	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCoC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCoC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6641	0.819	150	110.6641	0.671	150	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCoPt)(CCHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SCoPt)(CCHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.2010	0.906	3	110.2010	0.821	3	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCrC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCrC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.1217	0.840	24	111.1217	0.705	24	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCu2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCu2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.2133	0.331	24	110.2133	0.110	24	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCuC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCuC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6701	0.648	9	110.6701	0.419	9	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFe2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SFe2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.0776	0.966	9	110.0776	0.934	9	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFeC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SFeC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.5961	0.715	73	110.5961	0.512	73	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFeNi)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SFeNi)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	109.3130	0.204	3	109.3130	0.042	3	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SIr2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SIr2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.8658	1.430	6	110.8658	2.046	6	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SIrC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SIrC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.7686	1.186	18	110.7686	1.407	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SMnC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SMnC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.7996	0.419	18	110.7996	0.176	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[3]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[3]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.5432	1.112	24	111.5432	1.237	24	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[5]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[5]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.1962	1.232	30	111.1962	1.518	30	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[6]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[6]O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.4114	1.332	21	111.4114	1.775	21	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNiC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SNiC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6882	0.719	18	110.6882	0.516	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SPdC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SPdC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.7344	0.866	60	110.7344	0.751	60	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SPtC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SPtC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.1284	1.320	5	111.1284	1.741	5	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SReC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SReC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.3927	0.717	3	111.3927	0.514	3	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRuC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SRuC)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.6578	0.855	18	110.6578	0.732	18	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SZr2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SZr2)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.3274	0.787	9	110.3274	0.620	9	110.8454	1.450	675	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Se-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeCuC)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SeCuC)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.4657	4.018	47	110.4657	16.148	47	110.5053	14.455	53	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Se-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SePt2)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SePt2)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.8157	1.278	6	110.8157	1.634	6	110.5053	14.455	53	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	106.9361	1.029	87	106.9361	1.059	87	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9723	1.409	3	107.9723	1.984	3	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.0369	1.499	27	107.0369	2.247	27	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]Si[5])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]Si[5])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.9420	0.792	3	108.9420	0.627	3	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiIrC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiIrC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9832	1.196	6	107.9832	1.430	6	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiRuC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiRuC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.1516	0.762	5	109.1516	0.581	5	107.1591	1.572	131	108.7663	3.416	38703	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:2:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CN[5a]CC)(Br)(H)2	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CN[5a]CC)(Br)(H)2	C(CN[5a]CC)(OH)(H)2	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	106.3595	0.307	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:1:1:1:	4:2:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CN[5a]CC)(Cl)(H)2	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CN[5a]CC)(Cl)(H)2	C(CN[5a]CC)(OH)(H)2	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	106.3595	0.307	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(CC[5]CC)(OH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]S[5])(CC[6a]CO)(CHHO)(CH3)	C(CC[5]CC)(OH)(H)2	C(CC[5]CC)(H)3	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CC[5a]CC)(CN)(H)2	C(CC[5a]CC)(F)2(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CC[5a]CC)(CN)(H)2	C(CC[5a]CC)(F)2(H)	106.5330	0.870	2	106.5330	0.756	2	106.5330	0.756	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:Cl-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(ClPt)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CClHH)(CH3)2	C(CC[6]CC)(ClPt)(H)2	C(CC[6]CC)(H)3	107.0290	6.232	2	107.0290	38.843	2	107.0290	38.843	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(HCa)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3)3	C(CC[6]CC)(HCa)(H)2	C(CC[6]CC)(H)3	107.9455	3.160	2	107.9455	9.986	2	107.9455	9.986	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CH3)3	C(CC[6a]CC)(HZr)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)3	C(CC[6a]CC)(HZr)(H)2	C(CC[6a]CC)(H)3	108.8825	3.109	2	108.8825	9.667	2	108.8825	9.667	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NC)(H)2	C(CC[6a]CC)(H)3	109.3445	1.754	2	109.3445	3.078	2	109.3445	3.078	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(OH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(OH)(H)2	C(CC[6a]CC)(H)3	108.0460	0.000	1	108.0460	0.000	1	107.8439	1.893	7	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(OC)(H)2	C(CC[6a]CC)(H)3	107.6000	1.312	2	107.6000	1.722	2	107.8439	1.893	7	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(ON)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHO)(CH3)2	C(CC[6a]CC)(ON)(H)2	C(CC[6a]CC)(H)3	107.6545	1.402	2	107.6545	1.966	2	107.8439	1.893	7	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	C(CC[6a]CC)(OS)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	C(CC[6a]CC)(OS)(H)2	C(CC[6a]CC)(H)3	108.1760	2.687	2	108.1760	7.220	2	107.8439	1.893	7	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	107.5210	2.809	2	107.5210	7.888	2	107.5210	7.888	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(OC)(H)2	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CHHO)(CH3)2	C(CN[5]CC)(OC)(H)2	C(CN[5]CC)(H)3	108.8038	1.738	6	108.8038	3.019	6	109.1801	1.998	10	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	C(CN[5]CC)(H)3	C(N[5]Se[5]C[5])(CHHO)(CH3)2	C(CN[5]CC)(OH)(H)2	C(CN[5]CC)(H)3	109.7445	0.505	4	109.7445	0.255	4	109.1801	1.998	10	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C(CN[5a]CC)(OH)(H)2	C(CN[5a]CC)(H)3	C(N[5a]C[5a]S[5a])(CHHO)(CH3)2	C(CN[5a]CC)(OH)(H)2	C(CN[5a]CC)(H)3	109.7725	0.186	4	109.7725	0.035	4	109.7725	0.035	4	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(OC[6])(H)2	C(CN[6]CC)(H)3	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(OC[6])(H)2	C(CN[6]CC)(H)3	109.2745	1.675	2	109.2745	2.806	2	109.2745	2.806	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:F-2:F-1:F-1:	C-4:F-1:F-1:F-1:	C(OAlBa)(CF3)3	C(CCCO)(FBa)(F)2	C(CCCO)(F)3	C(OAlBa)(CF3)3	C(CCCO)(FBa)(F)2	C(CCCO)(F)3	109.7673	0.841	4	109.7673	0.707	4	109.7673	0.707	4	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	O[4]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(O[4]In[4]2)(CHHO)(CH3)2	C(CO[4]CC)(OC)(H)2	C(CO[4]CC)(H)3	C(O[4]In[4]2)(CHHO)(CH3)2	C(CO[4]CC)(OC)(H)2	C(CO[4]CC)(H)3	109.1610	1.687	2	109.1610	2.846	2	109.1610	2.846	2	108.6751	3.542	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CC[5a]CC)(CN)(H)2	C(CC[5a]CC)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CC[5a]CC)(CN)(H)2	C(CC[5a]CC)(CN)(H)2	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.8462	1.088	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NC)(H)2	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NC)(H)2	C(CC[6a]CC)(NC)(H)2	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.8462	1.088	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	C(CC[6a]CC)(OS)(H)2	C(CC[6a]CC)(OS)(H)2	C(C[6a]C[6a]N[6a])(CHHO)2(CH3)	C(CC[6a]CC)(OS)(H)2	C(CC[6a]CC)(OS)(H)2	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	109.8462	1.088	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	N-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(NC[6]2)(CHHO)2(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	109.8462	1.088	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:2:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(CC[6a]CC)(OC)2(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(CHOO)(CH3)	C(CC[6a]CC)(OC)2(H)	C(CC[6a]CC)(H)3	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHH)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CC[6]O)(CCHH)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.2110	0.587	2	109.2110	0.344	2	109.2110	0.344	2	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(CC[6a]O)(H)2	C(CC[5a]CC)(F)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(CC[6a]O)(H)2	C(CC[5a]CC)(F)3	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CC[6]O)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6]N[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CC[6]O)(H)2	C(CC[5a]CC)(H)3	109.6785	3.324	4	109.6785	11.049	4	109.6312	7.617	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CCO)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CCO)(H)2	C(CC[5a]CC)(H)3	109.5365	2.217	2	109.5365	4.914	2	109.6312	7.617	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(NOO)(H)2	C(CC[5a]CC)(F)3	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(NOO)(H)2	C(CC[5a]CC)(F)3	103.3570	0.000	1	103.3570	0.000	1	103.3570	0.000	1	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CNO)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CNO)(H)2	C(CC[6]CC)(H)3	106.5350	2.254	2	106.5350	5.082	2	106.5350	5.082	2	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C(CC[6]CC)(H)3	107.6938	0.459	6	107.6938	0.211	6	107.0378	0.830	11	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C(CC[6]CC)(H)3	106.2506	0.625	5	106.2506	0.390	5	107.0378	0.830	11	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C(CC[6]CC)(H)3	106.0385	0.726	4	106.0385	0.527	4	106.0385	0.527	4	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(F)3	107.8240	0.171	2	107.8240	0.029	2	108.0400	0.155	3	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(F)3	108.4720	0.000	1	108.4720	0.000	1	108.0400	0.155	3	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(F)2(H)	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(F)2(H)	106.6270	0.000	1	106.6270	0.000	1	106.6270	0.000	1	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCO)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCO)(H)2	C(CC[6a]CC)(H)3	107.5790	1.111	4	107.5790	1.233	4	107.5790	1.233	4	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(NOO)(H)2	C(CC[6a]CC)(F)3	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(NOO)(H)2	C(CC[6a]CC)(F)3	107.3563	1.537	3	107.3563	2.362	3	107.3563	2.362	3	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(NOO)(H)2	C(CC[6a]CC)(F)2(H)	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(NOO)(H)2	C(CC[6a]CC)(F)2(H)	108.0620	0.000	1	108.0620	0.000	1	108.0620	0.000	1	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(CC[6a]CC)(NCH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]2O)(CHHN)(CH3)	C(CC[6a]CC)(NCH)(H)2	C(CC[6a]CC)(H)3	106.7770	0.064	2	106.7770	0.004	2	107.6785	4.986	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(NCC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(NCC)(H)2	C(CC[6a]CC)(H)3	105.5340	0.000	1	105.5340	0.000	1	107.6785	4.986	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCS)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCS)(H)2	C(CC[6a]CC)(H)3	110.4555	0.835	2	110.4555	0.697	2	107.6785	4.986	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuC)(H)2	C(CC[6a]CC)(H)3	106.0720	0.000	1	106.0720	0.000	1	107.6785	4.986	6	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6a]-3:C-4:P-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(CC[6a]O)(H)2	C(CC[6a]CP)(H)3	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(CC[6a]O)(H)2	C(CC[6a]CP)(H)3	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.6986	2.162	8	109.6986	4.675	8	109.7207	3.760	10	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CNO)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CNO)(H)2	C(CCCN)(H)3	109.8090	1.048	2	109.8090	1.098	2	109.7207	3.760	10	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CN[5a]CC)(CCO)(H)2	C(CN[5a]CC)(H)3	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)2	C(CN[5a]CC)(CCO)(H)2	C(CN[5a]CC)(H)3	110.8855	1.284	4	110.8855	1.649	4	110.8855	1.649	4	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	C(CN[6]CC)(H)3	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	C(CN[6]CC)(H)3	107.5680	0.939	2	107.5680	0.882	2	107.5680	0.882	2	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(OInLi)(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(OInLi)(CCHH)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	108.9250	2.878	2	108.9250	8.282	2	108.9250	8.282	2	108.1414	4.410	64	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:2:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(NCC)(H)2	C(CC[6a]CC)(OH)(H)2	C(C[6a]C[6a]2)(CHHN)(CHHO)(CH3)	C(CC[6a]CC)(NCC)(H)2	C(CC[6a]CC)(OH)(H)2	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	111.2880	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(CC[6a]O)(H)2	C(CC[5a]CC)(NOO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHHN)(CF3)	C(CC[5a]CC)(CC[6a]O)(H)2	C(CC[5a]CC)(NOO)(H)2	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C(CC[6]CC)(NAlC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NAlC)(H)2	C(CC[6]CC)(NAlC)(H)2	109.5773	0.351	3	109.5773	0.123	3	111.0620	4.397	5	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C(CC[6]CC)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuC)(H)2	C(CC[6]CC)(NCuC)(H)2	113.2890	0.901	2	113.2890	0.812	2	111.0620	4.397	5	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C(CC[6]CC)(SFe2)(H)2	C(C[6]C[6]N[6])(CHHS)2(CH3)	C(CC[6]CC)(SFe2)(H)2	C(CC[6]CC)(SFe2)(H)2	110.2185	0.609	2	110.2185	0.371	2	110.2185	0.371	2	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFFH)(CHHN)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	111.6680	0.000	1	111.6680	0.000	1	112.9505	0.898	4	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[5a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	113.1295	0.361	2	113.1295	0.131	2	112.9505	0.898	4	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(CF3)	C(CC[6a]CC)(CC[6a]O)(H)2	C(CC[6a]CC)(NOO)(H)2	113.8750	0.000	1	113.8750	0.000	1	112.9505	0.898	4	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCS)(H)2	C(CC[6a]CC)(NCS)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCS)(H)2	C(CC[6a]CC)(NCS)(H)2	101.9050	0.000	1	101.9050	0.000	1	101.9050	0.000	1	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)3	C(CC[6a]CC)(OCrFe)(H)2	C(CC[6a]CC)(OCrFe)(H)2	C(C[6a]C[6a]2)(CHHO)3	C(CC[6a]CC)(OCrFe)(H)2	C(CC[6a]CC)(OCrFe)(H)2	110.8500	0.416	3	110.8500	0.173	3	111.0067	0.776	6	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)3	C(CC[6a]CC)(OFe2)(H)2	C(CC[6a]CC)(OFe2)(H)2	C(C[6a]C[6a]2)(CHHO)3	C(CC[6a]CC)(OFe2)(H)2	C(CC[6a]CC)(OFe2)(H)2	111.1633	1.301	3	111.1633	1.693	3	111.0067	0.776	6	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:1:1:	4:3:1:1:	N[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	C(CN[6]CC)(NCC)(H)2	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	C(CN[6]CC)(NCC)(H)2	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9082	6.533	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:3:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C(CC[5a]CC)(CNO)(NCH)(H)	C(CC[5a]CC)(H)3	C(C[5a]C[5a,6a]C[5a])(CCHN)(CH3)2	C(CC[5a]CC)(CNO)(NCH)(H)	C(CC[5a]CC)(H)3	110.0080	0.144	2	110.0080	0.021	2	110.0080	0.021	2	110.3100	3.555	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:3:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CH3)2	C(CC[6a]CC)(CNO)(NCC)(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHN)(CH3)2	C(CC[6a]CC)(CNO)(NCC)(H)	C(CC[6a]CC)(H)3	110.6120	3.206	2	110.6120	10.279	2	110.6120	10.279	2	110.3100	3.555	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[3a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(CCHH)(H)2	C(CC[3a]CC)(H)3	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(CCHH)(H)2	C(CC[3a]CC)(H)3	110.1560	1.180	32	110.1560	1.393	32	110.1560	1.393	32	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CC3)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CC[5a]CC)(CC3)(H)2	C(CC[5a]CC)(H)3	109.7914	3.932	8	109.7914	15.464	8	109.7914	15.464	8	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C(NC[3x6]CoH)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	C(C[5a]C[5a]N[5a])(CHHN)(CH3)2	C(NC[3x6]CoH)(CC[5a]CC)(H)2	C(CC[5a]CC)(H)3	107.4280	1.926	2	107.4280	3.710	2	107.4280	3.710	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6]CC)(CC3)(H)2	C(CC[6]CC)(H)3	108.8150	3.093	6	108.8150	9.565	6	108.5916	14.113	8	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6a]HH)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCHH)(CH3)2	C(CC[6a]HH)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	107.9215	7.055	2	107.9215	49.770	2	108.5916	14.113	8	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(H)3	106.6290	1.182	3	106.6290	1.398	3	106.3675	0.654	13	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C(CC[6]CC)(H)3	105.8242	0.917	4	105.8242	0.842	4	106.3675	0.654	13	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C(CC[6]CC)(H)3	106.4610	0.284	2	106.4610	0.081	2	106.3675	0.654	13	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C(CC[6]CC)(H)3	106.6677	0.478	4	106.6677	0.228	4	106.3675	0.654	13	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	106.5295	0.960	2	106.5295	0.921	2	106.5295	0.921	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CC3)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CC3)(H)2	C(CC[6a]CC)(H)3	109.3847	3.032	67	109.3847	9.194	67	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCCH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCCH)(H)2	C(CC[6a]CC)(H)3	108.2720	3.270	4	108.2720	10.692	4	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(H)3	108.2502	2.039	12	108.2502	4.157	12	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHN)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHN)(H)2	C(CC[6a]CC)(H)3	110.4875	0.371	2	110.4875	0.138	2	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CC[6a]HH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CC[6a]HH)(H)2	C(CC[6a]CC)(H)3	108.5497	2.324	22	108.5497	5.400	22	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	108.8906	1.392	34	108.8906	1.936	34	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CCFF)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CCFF)(H)2	C(CC[6a]CC)(H)3	107.5700	1.156	4	107.5700	1.336	4	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	106.6680	0.000	1	106.6680	0.000	1	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(H)3	108.2150	0.000	1	108.2150	0.000	1	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(CC[6a]CC)(CCCH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(CC[6a]CC)(CCCH)(H)2	C(CC[6a]CC)(H)3	109.5140	0.000	1	109.5140	0.000	1	108.9655	6.180	148	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(NCuCC)(H)2	C(CC[6a]CC)(Cl)(H)2	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(NCuCC)(H)2	C(CC[6a]CC)(Cl)(H)2	101.9670	0.000	1	101.9670	0.000	1	101.9670	0.000	1	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(NCuCC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CClHH)(CHHN)(CH3)	C(CC[6a]CC)(NCuCC)(H)2	C(CC[6a]CC)(H)3	113.4230	0.000	1	113.4230	0.000	1	109.7105	27.565	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuCH)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuCH)(H)2	C(CC[6a]CC)(H)3	105.9980	0.000	1	105.9980	0.000	1	109.7105	27.565	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CH3)2	C(CC[6a]CC)(SPdOO)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CHHS)(CH3)2	C(CC[6a]CC)(SPdOO)(H)2	C(CC[6a]CC)(H)3	109.3405	2.401	2	109.3405	5.763	2	109.3405	5.763	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[5]HH)(CH3)2	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	108.2070	3.536	2	108.2070	12.500	2	108.2070	12.500	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6]HH)(CH3)2	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C(CC[6a]C[6]C)(CH3)(H)2	C(CC[6a]C[6]C)(H)3	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C(CC[6a]C[6]C)(CH3)(H)2	C(CC[6a]C[6]C)(H)3	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(NC[5]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	111.1410	4.115	2	111.1410	16.936	2	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(NC[5a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	111.6305	2.411	4	111.6305	5.811	4	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	110.7040	2.885	12	110.7040	8.325	12	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	109.5665	3.669	2	109.5665	13.463	2	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.8664	1.702	8	109.8664	2.895	8	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)2(H)2	C(CCCN)(H)3	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)2(H)2	C(CCCN)(H)3	109.8265	1.991	2	109.8265	3.962	2	110.4990	6.067	30	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CN[3]CC)(CC3)(H)2	C(CN[3]CC)(H)3	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CN[3]CC)(CC3)(H)2	C(CN[3]CC)(H)3	113.6575	1.184	2	113.6575	1.403	2	113.6575	1.403	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(CC3)(H)2	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CCHH)(CH3)2	C(CN[5]CC)(CC3)(H)2	C(CN[5]CC)(H)3	109.9165	3.451	2	109.9165	11.912	2	109.9165	11.912	2	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(Br)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(Br)(H)2	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(Cl)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(Cl)(H)2	114.2260	0.000	1	114.2260	0.000	1	114.2260	0.000	1	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CN[5a]CC)(CC3)(H)2	C(CN[5a]CC)(H)3	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CN[5a]CC)(CC3)(H)2	C(CN[5a]CC)(H)3	111.4512	2.425	6	111.4512	5.879	6	111.4512	5.879	6	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CN[6a]CC)(CC3)(H)2	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CN[6a]CC)(CC3)(H)2	C(CN[6a]CC)(H)3	109.1640	1.772	4	109.1640	3.140	4	109.1640	3.140	4	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	P-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	107.6180	2.246	4	107.6180	5.043	4	107.6180	5.043	4	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFeNi)(CHHN)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(SFeNi)(CHHN)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	110.6755	2.551	6	110.6755	6.510	6	110.6755	6.510	6	109.2559	6.930	278	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(OH)(H)2	107.7045	0.086	2	107.7045	0.007	2	107.7045	0.007	2	110.2634	5.522	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(CC[5a]CC)(CHHO)(H)2	C(CC[5a]CC)(OH)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(CC[5a]CC)(CHHO)(H)2	C(CC[5a]CC)(OH)(H)2	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	110.2634	5.522	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(OH)(H)2	111.8780	0.000	1	111.8780	0.000	1	112.1205	0.118	2	110.2634	5.522	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(OH)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(CC[6a]HH)(CN[5a]CC)(H)2	C(CN[5a]CC)(OH)(H)2	112.3630	0.000	1	112.3630	0.000	1	112.1205	0.118	2	110.2634	5.522	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(NCuC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(NCuC)(H)2	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	110.4523	2.965	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(NCC)(H)2	111.3225	0.951	2	111.3225	0.905	2	109.8363	3.423	4	110.4523	2.965	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(NCC)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(NCC)(H)2	108.3500	0.727	2	108.3500	0.528	2	109.8363	3.423	4	110.4523	2.965	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuCH)(H)2	C(CC[6a]CC)(NCuC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	C(CC[6a]CC)(NCuCH)(H)2	C(CC[6a]CC)(NCuC)(H)2	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	110.4523	2.965	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(CCHH)3	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CC[6a]O)(CCHH)3	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	110.2827	2.807	3	110.2827	7.880	3	110.1441	2.777	9	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]O)(CCHH)3	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]O)(CCHH)3	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	110.0748	1.129	6	110.0748	1.274	6	110.1441	2.777	9	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(NCuCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NCuCH)(H)2	C(CC[6]CC)(NCuCH)(H)2	110.8690	0.000	1	110.8690	0.000	1	112.0073	3.593	6	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C(CC[6]CC)(NFeCC)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCC)(H)2	C(CC[6]CC)(NFeCC)(H)2	114.2795	1.449	2	114.2795	2.099	2	112.0073	3.593	6	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C(CC[6]CC)(NFeCH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeCH)(H)2	C(CC[6]CC)(NFeCH)(H)2	111.3480	0.000	1	111.3480	0.000	1	112.0073	3.593	6	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C(CC[6]CC)(NFeHH)(H)2	C(C[6]C[6]N[6])(CHHN)2(CH3)	C(CC[6]CC)(NFeHH)(H)2	C(CC[6]CC)(NFeHH)(H)2	110.6340	0.190	2	110.6340	0.036	2	112.0073	3.593	6	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(C[6]C[6]N[6])(CHHP)2(CH3)	C(PC[6a]2Ru)(CC[6]CC)(H)2	C(PC[6a]2Ru)(CC[6]CC)(H)2	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CH3)(H)2	108.2820	0.041	2	108.2820	0.002	2	108.2820	0.002	2	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(NCCH)(H)2	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(NCCH)(H)2	C(CC[6a]CC)(CH3)(H)2	108.3155	4.703	2	108.3155	22.118	2	108.3155	22.118	2	110.4432	5.249	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]O)(CCHO)(CH3)2	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[5]O)(CCHO)(CH3)2	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	108.4942	0.311	4	108.4942	0.097	4	108.4818	0.375	6	108.4818	0.375	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C-3:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]O)(CCHO)(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	C(CC[6]O)(CCHO)(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	108.4570	1.259	2	108.4570	1.584	2	108.4818	0.375	6	108.4818	0.375	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:2:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CC[6a]CC)(CH3)(H)2	108.5075	0.463	2	108.5075	0.215	2	108.5075	0.215	2	110.1713	3.778	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:2:1:	4:4:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CC[6a]CC)(NCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CC[6a]CC)(CCHH)(OH)(H)	C(CC[6a]CC)(NCCH)(H)2	111.8350	0.216	2	111.8350	0.047	2	111.8350	0.047	2	110.1713	3.778	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6a]-3:C-4:C-4:N-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(CC[6a]CN)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(CC[6a]CN)(H)3	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	111.1584	2.012	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	N-3:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(CCCN)(H)3	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(CCCN)(H)3	112.0210	1.261	2	112.0210	1.591	2	112.0210	1.591	2	111.1584	2.012	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	S-3:C-4:C-4:C-4:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(SCoPt)(CCHN)(CH3)2	C(NCoHH)(CCCS)(COO)(H)	C(CCCS)(H)3	C(SCoPt)(CCHN)(CH3)2	C(NCoHH)(CCCS)(COO)(H)	C(CCCS)(H)3	110.9815	1.574	6	110.9815	2.478	6	110.9815	2.478	6	111.1584	2.012	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:3:1:	4:4:3:1:	N-3:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(CC[6a]HH)(CCCN)(COO)(H)	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(CC[6a]HH)(CCCN)(COO)(H)	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CC[6a]CC)(CH3)2(H)	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CC[6a]CC)(CH3)2(H)	C(CC[6a]CC)(H)3	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC[5a]CC)(CH3)2(CN)	C(CC[5a]CC)(H)3	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC[5a]CC)(CH3)2(CN)	C(CC[5a]CC)(H)3	111.0085	0.258	2	111.0085	0.067	2	111.0085	0.067	2	111.4130	1.548	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:2:	4:1:1:1:	N[5]-3:C-4:C-4:C-4:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(PO3)2(OH)	C(CN[5]CC)(H)3	C(N[5]C[5]2)(COPP)(CH3)2	C(CN[5]CC)(PO3)2(OH)	C(CN[5]CC)(H)3	111.8175	1.981	2	111.8175	3.923	2	111.8175	3.923	2	111.4130	1.548	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	111.4790	2.224	4	111.4790	4.947	4	111.4790	4.947	4	110.3651	4.382	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(CC[6a]CC)(H)3	110.2890	0.426	2	110.2890	0.181	2	110.2890	0.181	2	110.3651	4.382	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:1:1:1:	O-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(OFeLi)(CC3)2(CH3)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(OFeLi)(CC3)2(CH3)	C(CCCO)(CH3)3	C(CCCO)(H)3	108.2135	1.191	2	108.2135	1.420	2	108.2135	1.420	2	110.3651	4.382	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:2:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]CC)(OH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]CC)(OH)(H)2	111.7450	0.403	2	111.7450	0.162	2	111.7450	0.162	2	111.7450	0.162	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:4:1:1:	C[5]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]CC)(CCHH)(H)2	111.7830	0.247	2	111.7830	0.061	2	111.7830	0.061	2	111.7830	0.061	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	4:4:4:4:	4:4:4:4:	O-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(OFeLi)(CC3)2(CH3)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(OFeLi)(CC3)2(CH3)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	5:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	Nb[6,6]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[6,6]HH)(CH3)2	C(Nb[6,6]N[6,6]O[6]2C)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	109.4863	0.117	3	109.4863	0.014	3	109.4863	0.014	3	109.4863	0.014	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:4:4:4:	6:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	Nb[3x6]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CNb[3x6]HH)(CH3)2	C(Nb[3x6]N[5,6,6]3ClN)(CC[6a]CC)(H)2	C(CC[6a]CC)(H)3	110.0970	2.114	2	110.0970	4.470	2	110.0970	4.470	2	110.0970	4.470	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5])(CTmH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5])(CTmH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CCaH3)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CCaH3)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.5000	0.000	1	107.5000	0.000	1	107.5590	0.111	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3U)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3U)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.2950	0.000	1	107.2950	0.000	1	107.5590	0.111	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CH3Y)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CH3Y)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.0420	0.000	1	108.0420	0.000	1	107.5590	0.111	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2)(CLuH3)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2)(CLuH3)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.3990	0.000	1	107.3990	0.000	1	107.5590	0.111	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CIrH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CIrH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.1965	0.777	2	110.1965	0.604	2	110.3768	0.250	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CRhH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRhH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.6490	0.000	1	110.6490	0.000	1	110.3768	0.250	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	3:5:4:4:	4:1:1:1:	4:1:1:1:	N[5]-3:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2)(CRuH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2)(CRuH3)(CH3)2	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	110.4650	0.000	1	110.4650	0.000	1	110.3768	0.250	4	109.0250	2.150	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:3:4:1:	4:2:1:1:	C-4:Se-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)2(CSeCH)(H)	C(CSeCH)(OC)(H)2	C(CC[6a]2H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)2(CSeCH)(H)	C(CSeCH)(OC)(H)2	117.5700	0.000	1	117.5700	0.000	1	117.5700	0.000	1	115.7000	6.994	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:3:4:1:	4:2:1:1:	C-4:Se-2:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CSeCH)(OC)(H)2	C(CC[6a]N[5]H)(SeC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CSeCH)(H)	C(CSeCH)(OC)(H)2	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	115.7000	6.994	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:3:4:1:	4:3:1:1:	C-4:S-2:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CCHS)(NHS)(H)2	C(CC[6a]2H)(SC[6a])(CHHN)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CCHS)(NHS)(H)2	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	115.3120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:3:4:1:	4:4:1:1:	C-4:S-2:C-4:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C(CC[6a]HH)(CCHS)(H)2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	C(CC[6a]HH)(CCHS)(H)2	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-2:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	C(CCHN)(H)3	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	112.1640	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:1:1:	4:2:1:1:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	109.8570	3.699	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:1:1:	4:2:1:1:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CN[5a]HH)(OC[6a])(CHHO)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHO)(OC)(H)2	111.2170	0.000	1	111.2170	0.000	1	111.2170	0.000	1	109.8570	3.699	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:1:1:	4:4:4:4:	C-4:O-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(CH3)3	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(CH3)3	114.9300	0.641	2	114.9300	0.410	2	114.9300	0.410	2	114.3573	1.189	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:1:1:	4:4:4:4:	C-4:Se-2:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(N[5a]N[5a]2)(CSeCH)(H)2	C(CSeCH)(CH3)3	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(N[5a]N[5a]2)(CSeCH)(H)2	C(CSeCH)(CH3)3	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	114.3573	1.189	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(H)3	C(CC[6a]HO)(OC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(H)3	114.0500	0.041	2	114.0500	0.002	2	113.5583	0.726	3	113.5583	0.726	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:2:1:	4:1:1:1:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[6a]HO)(ON[6])(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	112.5750	0.000	1	112.5750	0.000	1	113.5583	0.726	3	113.5583	0.726	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:2:1:	4:2:1:1:	C-4:O-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(OC[6a])(CHHO)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	113.9334	1.097	8	113.9334	1.203	8	113.9334	1.203	8	113.9334	1.203	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:2:1:	4:4:4:1:	C-4:Se-2:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:C-4:H-1:	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(C[6a]C[6a]2)(CSeCH)(OH)(H)	C(SC[6a]OO)(CSeCH)(CH3)(H)	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C(CCHN)(F)3	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	C(CCHN)(F)3	111.2840	0.000	1	111.2840	0.000	1	111.9635	0.923	2	110.8260	4.343	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CCHN)(F)3	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CCHN)(F)3	112.6430	0.000	1	112.6430	0.000	1	111.9635	0.923	2	110.8260	4.343	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:3:1:	4:1:1:1:	C-4:S-2:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(SC[6])(CH3)(H)	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CCHS)(H)3	C(CN[5]CH)(SC[6])(CH3)(H)	C(N[5]C[5]2)(CCHS)(COO)(H)	C(CCHS)(H)3	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	110.8260	4.343	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:3:1:	4:4:1:1:	C-4:S-2:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CCHH)(CCHS)(H)2	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(NCS)(H)	C(CCHH)(CCHS)(H)2	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:4:1:	4:1:1:1:	C-4:S-2:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a])(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	C(CCHS)(H)3	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	3:4:4:1:	4:4:1:1:	C-4:S-2:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CCHH)(CCHS)(H)2	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CCHH)(CCHS)(H)2	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	4:1:1:1:	4:1:1:1:	C-4:O-2:C-4:H-1:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	C(CCHO)(H)3	C(CBrHH)(OC[6])(CH3)(H)	C(CCHO)(Br)(H)2	C(CCHO)(H)3	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	4:3:3:1:	4:1:1:1:	C-4:Se-2:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(COO)(NCH)(H)	C(CSeCH)(H)3	C(CCHN)(SeSe)(CH3)(H)	C(CSeCH)(COO)(NCH)(H)	C(CSeCH)(H)3	112.4710	0.649	2	112.4710	0.421	2	112.4710	0.421	2	112.4710	0.421	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	4:4:1:1:	4:3:1:1:	C-4:O-2:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CCH)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CCH)(H)2	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:1:	4:4:1:1:	4:4:1:1:	C-4:O-2:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CH3)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CH3)(H)2	113.1048	2.553	5	113.1048	6.517	5	113.1048	6.517	5	113.1048	6.517	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:2:	3:4:1:1:	4:4:1:1:	C-4:O-2:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(C[6a]C[6a]2)(CCOO)(H)2	C(CCHH)(CCOO)(H)2	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(OC[5])(CH3)2	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	109.5580	0.000	1	109.5580	0.000	1	109.5580	0.000	1	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(OC[6a])(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OC[6a])(CH3)2	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.4233	0.778	3	110.4233	0.606	3	110.4233	0.606	3	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:S-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	C(C[5]C[5]N[5]H)(SC[6a])(CH3)2	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	109.6877	0.418	3	109.6877	0.175	3	109.6877	0.175	3	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O-2:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	110.2203	0.584	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-2:C-4:C-4:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(H)3	C(CBrCH)(OC[6])(CH3)2	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(H)3	112.0040	2.580	2	112.0040	6.654	2	112.0040	6.654	2	111.4620	7.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	112.9234	0.802	5	112.9234	0.643	5	111.3071	8.536	7	111.4620	7.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[3]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(CC[3]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	107.2665	1.710	2	107.2665	2.926	2	111.3071	8.536	7	111.4620	7.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]O)(CCCH)(H)	C(CCCH)(H)3	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	111.5655	2.143	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(H)3	111.2665	2.259	2	111.2665	5.104	2	111.2665	5.104	2	111.5655	2.143	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CCHN)(F)3	C(CC[6a]HN)(NC[6a]H)(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(CCHN)(H)	C(CCHN)(F)3	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	111.5655	2.143	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HP)(NFeC)(CH3)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]HP)(NFeC)(CH3)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CCHN)(H)3	111.0025	1.767	2	111.0025	3.123	2	111.0025	3.123	2	111.5655	2.143	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:2:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(OH)(H)2	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(CNO)(H)2	109.9530	0.000	1	109.9530	0.000	1	111.1360	2.799	2	110.3313	3.342	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(COO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(COO)(H)2	112.3190	0.000	1	112.3190	0.000	1	111.1360	2.799	2	110.3313	3.342	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:3:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(NOO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CHHN)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(NOO)(H)2	108.7220	0.000	1	108.7220	0.000	1	108.7220	0.000	1	110.3313	3.342	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(H)2	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	110.5953	0.070	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(CCHH)(H)2	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.5953	0.070	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:4:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]CH)(H)	C(CC[6a]CH)(CCHH)(H)2	110.2980	0.000	1	110.2980	0.000	1	110.2980	0.000	1	110.5953	0.070	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:1:	4:4:4:4:	C-4:O-3:C-4:H-1:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CCHO)(CH3)3	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:3:4:3:	4:3:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C(CC[6a]CH)(CHO)(H)2	C(CC[5a]C[6a]C)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]CH)(COO)	C(CC[6a]CH)(CHO)(H)2	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	2:4:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(OC[6])(CCHN)(H)2	C(CC[6a]HH)(NC[5]Pd)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(OC[6])(CCHN)(H)2	110.7170	0.901	2	110.7170	0.812	2	110.7170	0.812	2	110.7170	0.812	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	110.9920	0.444	2	110.9920	0.197	2	110.9920	0.197	2	109.9887	3.119	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CCHN)(H)3	C(CN[5]HH)(NC[5]H)(CH3)(H)	C(N[5]C[5,5]C[5])(CCHN)(H)2	C(CCHN)(H)3	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	109.9887	3.119	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:2:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NC[3]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	110.9560	0.000	2	110.9560	0.000	2	110.9560	0.000	2	110.9560	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	111.9340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:4:3:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CF3)(NHS)(H)	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	111.4540	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:4:4:1:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	112.8263	2.753	8	112.8263	7.577	8	113.0385	6.485	10	113.0385	6.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:4:4:1:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	112.5600	0.000	1	112.5600	0.000	1	113.0385	6.485	10	113.0385	6.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:1:1:	4:4:4:1:	C-4:S-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]N[5])(CCHS)(H)2	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(N[5]C[5]N[5])(CCHS)(H)2	C(CCHS)(CH3)2(H)	115.2150	0.000	1	115.2150	0.000	1	113.0385	6.485	10	113.0385	6.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CCCH)(H)3	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CCCH)(F)3	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CCCH)(F)3	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(F)3	C(CC[6a]HO)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(F)3	113.3560	2.160	2	113.3560	4.663	2	113.3560	4.663	2	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(H)3	110.6920	0.000	1	110.6920	0.000	1	111.9139	0.937	7	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	111.9180	0.000	1	111.9180	0.000	1	111.9139	0.937	7	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	112.4590	1.076	3	112.4590	1.157	3	111.9139	0.937	7	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	112.3510	0.000	1	112.3510	0.000	1	111.9139	0.937	7	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CSiC)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CSiC)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	111.0590	0.000	1	111.0590	0.000	1	111.9139	0.937	7	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:I-1:	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)2(I)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)2(I)	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	112.0510	0.771	2	112.0510	0.594	2	112.0510	0.594	2	112.1664	1.497	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:3:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(NCC)(H)2	C(CC[6a]HO)(CN[5]O)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(NCC)(H)2	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CCCH)(CH3)(H)2	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	111.1053	0.818	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	111.1053	0.818	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CC[6a]HO)(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(SC[6a]OO)(CCCH)(H)2	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	111.1053	0.818	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:F-1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(CN[5]O)(CF3)(F)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CCCF)(F)3	C(CC[6a]HN)(CN[5]O)(CF3)(F)	C(C[6a]C[6a]2)(CCCF)(NCH)(H)	C(CCCF)(F)3	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CC[5]H)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(F)3	C(CC[6a]HN)(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(F)3	111.9420	0.000	1	111.9420	0.000	1	113.4135	2.327	4	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(F)3	C(CC[6a]HN)(CN[5]O)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(F)3	113.9040	1.431	3	113.9040	2.047	3	113.4135	2.327	4	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.8703	0.714	3	111.8703	0.509	3	111.8294	0.932	11	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CN[5]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.9636	1.231	5	111.9636	1.515	5	111.8294	0.932	11	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CN[6]O)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	111.5647	0.985	3	111.5647	0.970	3	111.8294	0.932	11	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CCHN)(F)3	C(CC[6a]CH)(NC[5]H)(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	C(CCHN)(F)3	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(H)3	C(CC[6a]CH)(NN[5]C)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(H)3	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.1554	1.418	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:2:2:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:O-2:H-1:	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(OC)2(H)	C(CC[6a]CH)(CC[5]H)(CHOO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(OC)2(H)	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C(CN[5]HH)(CCCH)(H)2	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCCH)(COO)(H)	C(CN[5]HH)(CCCH)(H)2	114.5795	0.189	2	114.5795	0.036	2	114.5795	0.036	2	113.8200	0.521	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CCHH)(H)2	113.0850	0.000	1	113.0850	0.000	1	113.3137	0.063	3	113.8200	0.521	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	113.4280	0.218	2	113.4280	0.047	2	113.3137	0.063	3	113.8200	0.521	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	S-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CMnO)(CH3)(H)	C(SMnPt)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CCHS)(CMnO)(CH3)(H)	C(SMnPt)(CCCH)(CH3)(H)	C(CCCH)(H)3	112.8540	0.000	1	112.8540	0.000	1	112.8540	0.000	1	113.1300	0.152	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:4:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(CC[6a]CH)(NC[6]H)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CCHN)(H)3	113.4060	0.000	1	113.4060	0.000	1	113.4060	0.000	1	113.1300	0.152	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CH3)(H)2	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.6165	0.586	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:4:1:	4:4:1:1:	C-4:C[6a]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C(CC[6a]CH)(CH3)(H)2	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C(CC[6a]CH)(CH3)(H)2	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	110.6165	0.586	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	3:4:4:1:	4:4:2:1:	C-4:C-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(CH3)(OH)(H)	111.7600	0.000	1	111.7600	0.000	1	111.7600	0.000	1	111.7600	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(OMo)(H)2	C(CCCH)(H)3	C(CHHO)(CMoO)(CH3)(H)	C(CCCH)(OMo)(H)2	C(CCCH)(H)3	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(NCoC)(H)2	C(CCHN)(H)3	C(CHHN)(NCoC)(CH3)(H)	C(CCHN)(NCoC)(H)2	C(CCHN)(H)3	109.4150	0.000	1	109.4150	0.000	1	112.1534	4.455	13	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(NFeC)(H)2	C(CCHN)(H)3	C(CHHN)(NFeC)(CH3)(H)	C(CCHN)(NFeC)(H)2	C(CCHN)(H)3	112.6150	2.354	6	112.6150	5.539	6	112.1534	4.455	13	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(NMnC)(H)2	C(CCHN)(H)3	C(CHHN)(NMnC)(CH3)(H)	C(CCHN)(NMnC)(H)2	C(CCHN)(H)3	112.5447	2.037	4	112.5447	4.147	4	112.1534	4.455	13	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(NNiC)(H)2	C(CCHN)(H)3	C(CHHN)(NNiC)(CH3)(H)	C(CCHN)(NNiC)(H)2	C(CCHN)(H)3	110.2030	0.000	1	110.2030	0.000	1	112.1534	4.455	13	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(NPtC)(H)2	C(CCHN)(H)3	C(CHHN)(NPtC)(CH3)(H)	C(CCHN)(NPtC)(H)2	C(CCHN)(H)3	112.5070	0.000	1	112.5070	0.000	1	112.1534	4.455	13	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(NMnC)(H)2	C(CCHO)(H)3	C(CHHN)(OMnH)(CH3)(H)	C(CCHO)(NMnC)(H)2	C(CCHO)(H)3	113.9100	1.298	2	113.9100	1.685	2	113.9100	1.685	2	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(OAl2)(H)2	C(CCHO)(H)3	C(CHHO)(OAl2)(CH3)(H)	C(CCHO)(OAl2)(H)2	C(CCHO)(H)3	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	112.5498	4.453	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:4:4:4:	C-4:N-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(OAl2)(H)2	C(CCHN)(CH3)3	C(CHHO)(NAlC)(CC3)(H)	C(CCHN)(OAl2)(H)2	C(CCHN)(CH3)3	114.3620	0.000	1	114.3620	0.000	1	115.0570	0.968	3	115.0570	0.968	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:1:1:	4:4:4:4:	C-4:N-3:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(OFeH)(H)2	C(CCHN)(CH3)3	C(CHHO)(NFeC)(CC3)(H)	C(CCHN)(OFeH)(H)2	C(CCHN)(CH3)3	115.4045	1.101	2	115.4045	1.212	2	115.0570	0.968	3	115.0570	0.968	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:4:1:	3:4:1:1:	C-4:C-3:C-4:H-1:	C-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(CC[6a]HH)(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	111.6131	0.527	7	111.6131	0.278	7	111.6131	0.278	7	111.6131	0.278	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(H)3	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(NSnC)(CH3)(H)	C(CCHN)(H)3	109.7242	0.559	5	109.7242	0.313	5	109.7242	0.313	5	110.7670	3.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:3:4:1:	4:1:1:1:	C-4:S-3:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(H)3	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(SFe2)(CH3)(H)	C(CCHS)(H)3	113.3740	0.021	2	113.3740	0.000	2	113.3740	0.000	2	110.7670	3.380	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CRhO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	102.6990	0.000	2	102.6990	0.000	2	102.6990	0.000	2	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[3]HH)(CC[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(H)2	C(CCCH)(H)3	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CN[5]O)(CH3)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	110.7640	0.000	2	110.7640	0.000	2	110.7640	0.000	2	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCrC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCrC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	111.0743	0.573	3	111.0743	0.328	3	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCrC)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCrC)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(CCHN)(H)3	110.3810	0.000	1	110.3810	0.000	1	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.5210	0.000	1	110.5210	0.000	1	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(NCuC)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	112.7880	0.233	2	112.7880	0.054	2	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(NNiC)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	112.5540	0.942	2	112.5540	0.887	2	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NRuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NRuC)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	107.3050	0.000	1	107.3050	0.000	1	111.2114	2.962	10	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	C(CCHN)(H)3	C(CC[4]HH)(NC[6a]C)(CH3)(H)	C(C[4]C[6a]C[4]N[4])(CCHN)(H)2	C(CCHN)(H)3	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6]HH)(NC[6]S)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	C(CCHN)(H)3	114.1410	0.000	1	114.1410	0.000	1	114.1410	0.000	1	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NNiC)(CH3)(H)	C(NNiCH)(CCHN)(H)2	C(CCHN)(H)3	C(CHHN)(NNiC)(CH3)(H)	C(NNiCH)(CCHN)(H)2	C(CCHN)(H)3	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(H)3	C(CCHH)(OZn2)(CH3)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(H)3	112.0620	0.683	2	112.0620	0.467	2	112.0620	0.467	2	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OAl2)(CH3)(H)	C(NAlCC)(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(OAl2)(CH3)(H)	C(NAlCC)(CCHO)(H)2	C(CCHO)(H)3	110.5142	0.865	6	110.5142	0.749	6	111.0261	1.363	9	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OCo2)(CH3)(H)	C(NCoCC)(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(OCo2)(CH3)(H)	C(NCoCC)(CCHO)(H)2	C(CCHO)(H)3	111.7105	1.322	2	111.7105	1.747	2	111.0261	1.363	9	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OFe2)(CH3)(H)	C(NFeCC)(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(OFe2)(CH3)(H)	C(NFeCC)(CCHO)(H)2	C(CCHO)(H)3	112.7290	0.000	1	112.7290	0.000	1	111.0261	1.363	9	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(OAl2)(CH3)(H)	C(N[6]C[6]2Al)(CCHO)(H)2	C(CCHO)(H)3	C(CN[6]HH)(OAl2)(CH3)(H)	C(N[6]C[6]2Al)(CCHO)(H)2	C(CCHO)(H)3	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SCuC)(CH3)(H)	C(NCuCC)(CCHS)(H)2	C(CCHS)(H)3	C(CHHN)(SCuC)(CH3)(H)	C(NCuCC)(CCHS)(H)2	C(CCHS)(H)3	111.2440	0.731	2	111.2440	0.535	2	111.2440	0.535	2	110.8273	6.546	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(CHfC)(CC3)(H)	C(C[5]C[5]2Hf)(CCCH)(H)2	C(CCCH)(CH3)3	C(CC[5]HH)(CHfC)(CC3)(H)	C(C[5]C[5]2Hf)(CCCH)(H)2	C(CCCH)(CH3)3	111.3440	0.000	1	111.3440	0.000	1	111.3440	0.000	1	113.6537	5.605	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:1:1:	4:4:4:4:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(OCuH)(CC3)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CH3)3	C(CHHN)(OCuH)(CC3)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CH3)3	114.8085	1.791	2	114.8085	3.208	2	114.8085	3.208	2	113.6537	5.605	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	110.4200	0.072	2	110.4200	0.005	2	110.4200	0.005	2	111.3400	1.147	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CN[5]O)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	111.3400	1.147	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6]HO)(CC[5]O)(CH3)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	111.3400	1.147	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:3:1:	4:1:1:1:	C-4:S-3:C-4:H-1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(H)3	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(H)3	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-3:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCH)(H)3	C(CCCN)(CSiC)(CH3)(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCH)(H)3	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:2:	3:3:4:1:	2:4:1:1:	C-4:C-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:H-1:	S-2:C-4:H-1:H-1:	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(SC[6a])(CC3)(H)2	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(SC[6a])(CC3)(H)2	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:2:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-2:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:3:	3:3:4:1:	4:3:1:1:	C-4:C[6]-3:C-4:C-3:	N[5]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6]CC)(CCC)(H)2	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	C(CC[6]CC)(CCC)(H)2	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:3:	3:4:2:1:	4:4:1:1:	C-4:N-3:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CCCN)(CCHH)(H)2	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CCCN)(CCHH)(H)2	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)(COO)	C(CCCH)(CCCN)(H)2	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)(COO)	C(CCCH)(CCCN)(H)2	C(CCCN)(H)3	111.7115	3.092	2	111.7115	9.562	2	110.9156	3.191	5	110.9156	3.191	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:3:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)(COO)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)(COO)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	110.3850	0.739	3	110.3850	0.546	3	110.9156	3.191	5	110.9156	3.191	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	2:4:4:4:	4:1:1:1:	C-4:O-3:C-4:C-4:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(OPdH)(CH3)2	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(OPdH)(CH3)2	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	112.1575	1.593	2	112.1575	2.538	2	112.1575	2.538	2	112.1575	2.538	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:1:	4:1:1:1:	C-4:C[6a]-3:C-4:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[6a]CC)(H)3	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[6a]CC)(H)3	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	110.5066	4.494	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]N[5]H)(OZnH)(CH3)2	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CCCO)(H)3	C(CC[6]N[5]H)(OZnH)(CH3)2	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C(CCCO)(H)3	110.7575	0.176	2	110.7575	0.031	2	110.7575	0.031	2	110.5066	4.494	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]N[5]H)(SZn2)(CH3)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CCCS)(H)3	C(CN[5a]N[5]H)(SZn2)(CH3)2	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCCS)(H)	C(CCCS)(H)3	111.8570	1.978	2	111.8570	3.914	2	111.8570	3.914	2	110.5066	4.494	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:1:	4:3:1:1:	C-4:C[6a]-3:C-4:C-4:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[6a]CC)(CNO)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]CC)(H)	C(CC[6a]CC)(CNO)(H)2	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	108.2830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:2:	4:1:1:1:	C-4:S-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]2O)(SCuC)(CH3)2	C(C[5]N[5]2)2(CCCS)(OC)	C(CCCS)(H)3	C(CC[5]2O)(SCuC)(CH3)2	C(C[5]N[5]2)2(CCCS)(OC)	C(CCCS)(H)3	110.8005	0.931	2	110.8005	0.867	2	110.3955	0.614	4	110.3955	0.614	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:3:4:2:	4:1:1:1:	C-4:S-3:C-4:C-4:	C[5]-3:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]2O)(SCuC)(CH3)2	C(C[5]N[5]2)2(CCCS)(OH)	C(CCCS)(H)3	C(CC[5]2O)(SCuC)(CH3)2	C(C[5]N[5]2)2(CCCS)(OH)	C(CCCS)(H)3	109.9905	0.564	2	109.9905	0.318	2	110.3955	0.614	4	110.3955	0.614	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-3:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CC[6a]S)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CC[6a]S)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	109.7915	0.462	2	109.7915	0.213	2	109.7915	0.213	2	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(OZn2)(CF3)2	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(OZn2)(CF3)2	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	107.5215	2.907	2	107.5215	8.450	2	107.5215	8.450	2	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(OMg2)(CH3)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(OMg2)(CH3)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	108.7350	2.161	2	108.7350	4.670	2	110.7063	3.493	18	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(ONiH)(CH3)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(ONiH)(CH3)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	110.9528	1.751	16	110.9528	3.064	16	110.7063	3.493	18	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(ORhB)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(ORhB)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	108.3055	0.812	2	108.3055	0.660	2	109.4137	3.625	6	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(ORhH)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(ORhH)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	111.0125	1.996	2	111.0125	3.985	2	109.4137	3.625	6	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(OZn2)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(OZn2)(CH3)2	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	108.9230	2.331	2	108.9230	5.432	2	109.4137	3.625	6	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(OPb2)(CH3)2	C(SeC[6a]Pb)(CCCO)(H)2	C(CCCO)(H)3	C(CSeHH)(OPb2)(CH3)2	C(SeC[6a]Pb)(CCCO)(H)2	C(CCCO)(H)3	110.4050	4.196	4	110.4050	17.609	4	110.1705	11.973	6	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(OZn2)(CH3)2	C(SeC[6a]Zn)(CCCO)(H)2	C(CCCO)(H)3	C(CSeHH)(OZn2)(CH3)2	C(SeC[6a]Zn)(CCCO)(H)2	C(CCCO)(H)3	109.7015	2.525	2	109.7015	6.376	2	110.1705	11.973	6	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(SNiC)(CH3)2	C(SFeNi)(CCCS)(H)2	C(CCCS)(H)3	C(CHHS)(SNiC)(CH3)2	C(SFeNi)(CCCS)(H)2	C(CCCS)(H)3	111.8162	0.730	4	111.8162	0.533	4	111.8162	0.533	4	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(SNiC)(CH3)2	C(SeFeNi)(CCCS)(H)2	C(CCCS)(H)3	C(CSeHH)(SNiC)(CH3)2	C(SeFeNi)(CCCS)(H)2	C(CCCS)(H)3	111.4850	1.772	4	111.4850	3.138	4	111.4850	3.138	4	110.4298	4.754	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CCCS)(H)3	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(C[6a]C[6a]2)(CCCS)(OH)(H)	C(CCCS)(H)3	112.6245	0.077	2	112.6245	0.006	2	112.6245	0.006	2	112.6245	0.006	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CC[6a]N)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]CC)(CC[6a]N)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.4100	0.000	1	107.4100	0.000	1	108.4375	2.112	2	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CC[6a]S)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HH)(CC[6a]S)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.4650	0.000	1	109.4650	0.000	1	108.4375	2.112	2	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(NCoC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(NCoC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.2230	0.000	1	109.2230	0.000	1	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.3271	0.822	46	109.3271	0.675	46	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(NOsH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(NOsH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.4490	0.000	1	108.4490	0.000	1	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(NPtC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(NPtC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.6813	1.376	4	108.6813	1.893	4	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(NRuH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(NRuH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.6040	0.457	2	108.6040	0.209	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCrC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NCrC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.2660	0.095	2	109.2660	0.009	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.1514	1.066	7	109.1514	1.137	7	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.0735	1.072	4	110.0735	1.148	4	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NRuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NRuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	107.6690	0.451	2	107.6690	0.204	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NZnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NZnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.1790	0.000	1	110.1790	0.000	1	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NZrC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NZrC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.7780	0.000	1	111.7780	0.000	1	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NAlC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NAlC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.5775	0.299	2	110.5775	0.089	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCoC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NCoC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.8818	1.326	5	108.8818	1.760	5	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NCuC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.9520	0.195	2	111.9520	0.038	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NFeC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NFeC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.9820	0.000	1	111.9820	0.000	1	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.0670	4.083	3	109.0670	16.667	3	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.3420	0.679	11	111.3420	0.461	11	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NReC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NReC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.4455	0.991	2	110.4455	0.981	2	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.4497	0.841	3	111.4497	0.707	3	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.8167	1.026	4	110.8167	1.053	4	109.7188	1.887	104	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(OZn2)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(OZn2)(CF3)2	C(CCCO)(F)3	C(CCCO)(F)3	109.4870	0.311	2	109.4870	0.097	2	109.4870	0.097	2	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.3240	0.000	1	109.3240	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(OAl2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(OAl2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.1790	0.000	1	110.1790	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(OAlH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(OAlH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.5740	0.000	1	109.5740	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(OPdH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(OPdH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.3350	0.000	1	110.3350	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(OReH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(OReH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.4690	0.000	1	110.4690	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(ORhH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(ORhH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.1430	0.000	1	111.1430	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.4950	0.141	2	109.4950	0.020	2	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(OMg2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(OMg2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.2750	0.000	1	110.2750	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(ONiH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(ONiH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.2775	0.318	8	111.2775	0.101	8	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]N[5]H)(OZnH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]N[5]H)(OZnH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.1130	0.000	1	111.1130	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OAl2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(OAl2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.5499	0.431	8	110.5499	0.186	8	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OMg2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(OMg2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	108.1325	0.254	2	108.1325	0.064	2	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OSn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(OSn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.3590	0.354	2	109.3590	0.125	2	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(ORhB)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(ORhB)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	111.4060	0.000	1	111.4060	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(ORhH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(ORhH)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	112.0850	0.000	1	112.0850	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	110.4680	0.000	1	110.4680	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(OPb2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CSeHH)(OPb2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.0870	0.502	2	109.0870	0.252	2	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	C(CSeHH)(OZn2)(CH3)2	C(CCCO)(H)3	C(CCCO)(H)3	109.5790	0.000	1	109.5790	0.000	1	110.3532	0.965	36	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SRu2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CCHN)(SRu2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.4085	0.790	2	110.4085	0.624	2	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]2O)(SCuC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CC[5]2O)(SCuC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	109.5395	0.648	2	109.5395	0.420	2	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CC[6a]HO)(SC[6a]O)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	111.2320	0.000	1	111.2320	0.000	1	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SCuC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SCuC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.4550	0.000	1	110.4550	0.000	1	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SCuS)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SCuS)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	108.6033	1.031	4	108.6033	1.062	4	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SFe2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SFe2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	109.2160	0.399	2	109.2160	0.159	2	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNi2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SNi2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.2597	0.542	3	110.2597	0.294	3	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.4440	0.000	1	110.4440	0.000	1	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiO)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SNiO)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.9030	0.000	1	110.9030	0.000	1	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiW)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(SNiW)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	108.6470	0.812	3	108.6470	0.659	3	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHS)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.9969	0.498	7	110.9969	0.248	7	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]N[5]H)(SZn2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CN[5a]N[5]H)(SZn2)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.2130	0.000	1	110.2130	0.000	1	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(CSeHH)(SNiC)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.9823	0.845	4	110.9823	0.714	4	110.1130	1.245	32	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	107.2340	0.000	1	107.2340	0.000	1	108.6388	0.746	5	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	108.9900	0.414	4	108.9900	0.172	4	108.6388	0.746	5	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	108.4770	0.000	1	108.4770	0.000	1	108.4682	0.617	6	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Ti)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	108.7000	1.121	2	108.7000	1.258	2	108.4682	0.617	6	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	C(C[5]C[5]2Zr)(C[6a]C[6a]2)(CH3)2	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(H)3	108.3107	0.907	3	108.3107	0.822	3	108.4682	0.617	6	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:P-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	C(CC[5]CP)(H)3	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	C(CC[5]CP)(H)3	C(CC[5]CP)(H)3	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	109.6590	0.000	1	109.6590	0.000	1	109.6590	0.000	1	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6,6a]C[6]H)(NC[6a]H)(CH3)2	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	108.6620	0.000	1	108.6620	0.000	1	108.6620	0.000	1	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	P-4:Ge-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(GeCl2)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	109.8103	1.649	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(SNiC)(CH3)2	C(CCCS)(SNi)(H)2	C(CCCS)(H)3	C(CHHS)(SNiC)(CH3)2	C(CCCS)(SNi)(H)2	C(CCCS)(H)3	111.8569	0.933	10	111.8569	0.871	10	111.8569	0.871	10	111.7845	0.749	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:Se-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(SNiC)(CH3)2	C(CCCS)(SeNi)(H)2	C(CCCS)(H)3	C(CSeHH)(SNiC)(CH3)2	C(CCCS)(SeNi)(H)2	C(CCCS)(H)3	111.6035	0.757	4	111.6035	0.573	4	111.6035	0.573	4	111.7845	0.749	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:C[6a]-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]CC)(CNO)(H)2	C(CC[6a]CC)(H)3	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(CH3)	C(CC[6a]CC)(CNO)(H)2	C(CC[6a]CC)(H)3	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.4090	1.462	10	109.4090	2.138	10	109.4307	2.501	18	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.5170	2.099	6	109.5170	4.408	6	109.4307	2.501	18	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NZnC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(CCHH)(NZnC)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.2800	1.071	2	109.2800	1.146	2	109.4307	2.501	18	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NAlC)(CH3)2	C(CCCN)(NAlC)(H)2	C(CCCN)(H)3	C(CHHN)(NAlC)(CH3)2	C(CCCN)(NAlC)(H)2	C(CCCN)(H)3	110.0343	0.707	4	110.0343	0.500	4	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCoC)(CH3)2	C(CCCN)(NCoC)(H)2	C(CCCN)(H)3	C(CHHN)(NCoC)(CH3)2	C(CCCN)(NCoC)(H)2	C(CCCN)(H)3	109.8710	1.878	2	109.8710	3.527	2	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCuC)(CH3)2	C(CCCN)(NCuC)(H)2	C(CCCN)(H)3	C(CHHN)(NCuC)(CH3)2	C(CCCN)(NCuC)(H)2	C(CCCN)(H)3	109.6947	0.369	4	109.6947	0.136	4	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NFeC)(CH3)2	C(CCCN)(NFeC)(H)2	C(CCCN)(H)3	C(CHHN)(NFeC)(CH3)2	C(CCCN)(NFeC)(H)2	C(CCCN)(H)3	107.4450	5.141	2	107.4450	26.426	2	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NMnC)(CH3)2	C(CCCN)(NMnC)(H)2	C(CCCN)(H)3	C(CHHN)(NMnC)(CH3)2	C(CCCN)(NMnC)(H)2	C(CCCN)(H)3	109.4910	2.919	2	109.4910	8.520	2	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NNiC)(CH3)2	C(CCCN)(NNiC)(H)2	C(CCCN)(H)3	C(CHHN)(NNiC)(CH3)2	C(CCCN)(NNiC)(H)2	C(CCCN)(H)3	109.8906	0.958	22	109.8906	0.918	22	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NReC)(CH3)2	C(CCCN)(NReC)(H)2	C(CCCN)(H)3	C(CHHN)(NReC)(CH3)2	C(CCCN)(NReC)(H)2	C(CCCN)(H)3	109.6183	1.256	4	109.6183	1.577	4	109.7149	1.948	40	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NMnC)(CH3)2	C(CCCN)(OMnH)(H)2	C(CCCN)(H)3	C(CHHO)(NMnC)(CH3)2	C(CCCN)(OMnH)(H)2	C(CCCN)(H)3	109.6370	1.143	6	109.6370	1.306	6	109.5891	1.081	14	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NNiC)(CH3)2	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	C(CHHO)(NNiC)(CH3)2	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	109.5531	1.035	8	109.5531	1.072	8	109.5891	1.081	14	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(OZn2)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(CCHH)(OZn2)(CF3)2	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	107.5790	2.301	2	107.5790	5.294	2	107.5790	5.294	2	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(ORhH)(CH3)2	C(CCCO)(CCO)(H)2	C(CCCO)(H)3	C(CCHH)(ORhH)(CH3)2	C(CCCO)(CCO)(H)2	C(CCCO)(H)3	110.1205	1.804	2	110.1205	3.254	2	110.1205	3.254	2	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OAl2)(CH3)2	C(CCCO)(NAlC)(H)2	C(CCCO)(H)3	C(CHHN)(OAl2)(CH3)2	C(CCCO)(NAlC)(H)2	C(CCCO)(H)3	110.1580	1.153	4	110.1580	1.329	4	110.1580	1.329	4	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C[6a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C(CC[6a]C[5]C)(NHS)(H)2	C(CC[6a]C[5]C)(H)3	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C(CC[6a]C[5]C)(NHS)(H)2	C(CC[6a]C[5]C)(H)3	108.4925	0.845	2	108.4925	0.714	2	108.4925	0.714	2	109.5557	1.993	83	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SRu2)(CH3)2	C(CCCS)(COO)(NRu)(H)	C(CCCS)(H)3	C(CCHN)(SRu2)(CH3)2	C(CCCS)(COO)(NRu)(H)	C(CCCS)(H)3	112.5602	0.790	4	112.5602	0.624	4	112.5602	0.624	4	112.5602	0.624	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NCoC)(CH3)2	C(CCCN)(NCoC)(CH3)2	C(CCCN)(H)3	C(CCCN)(NCoC)(CH3)2	C(CCCN)(NCoC)(CH3)2	C(CCCN)(H)3	111.9060	0.610	2	111.9060	0.372	2	111.6941	1.190	101	111.7514	1.244	105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NMnC)(CH3)2	C(CCCN)(NMnC)(CH3)2	C(CCCN)(H)3	C(CCCN)(NMnC)(CH3)2	C(CCCN)(NMnC)(CH3)2	C(CCCN)(H)3	111.6595	1.112	91	111.6595	1.236	91	111.6941	1.190	101	111.7514	1.244	105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NPtC)(CH3)2	C(CCCN)(NPtC)(CH3)2	C(CCCN)(H)3	C(CCCN)(NPtC)(CH3)2	C(CCCN)(NPtC)(CH3)2	C(CCCN)(H)3	112.0353	0.943	8	112.0353	0.890	8	111.6941	1.190	101	111.7514	1.244	105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(OAl2)(CH3)2	C(CCCO)(OAlH)(CH3)2	C(CCCO)(H)3	C(CCCO)(OAl2)(CH3)2	C(CCCO)(OAlH)(CH3)2	C(CCCO)(H)3	112.7360	0.297	2	112.7360	0.088	2	113.1965	0.576	4	111.7514	1.244	105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:3:4:4:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(OAlH)(CH3)2	C(CCCO)(OAl2)(CH3)2	C(CCCO)(H)3	C(CCCO)(OAlH)(CH3)2	C(CCCO)(OAl2)(CH3)2	C(CCCO)(H)3	113.6570	0.890	2	113.6570	0.791	2	113.1965	0.576	4	111.7514	1.244	105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCrC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NCrC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.6312	2.928	4	109.6312	8.574	4	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	109.9610	4.308	2	109.9610	18.556	2	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	110.5400	1.059	2	110.5400	1.122	2	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NNiC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NNiC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.8680	2.029	2	109.8680	4.118	2	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NRuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NRuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.8238	2.058	4	109.8238	4.237	4	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NZrC)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(NZrC)(CH3)2	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	113.3830	0.960	2	113.3830	0.922	2	110.3328	5.704	16	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCoC)(CH3)2	C(NCoCC)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)(NCoC)(CH3)2	C(NCoCC)(CCCN)(H)2	C(CCCN)(H)3	109.3345	4.226	8	109.3345	17.857	8	108.8454	31.623	12	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NMnC)(CH3)2	C(NMnCC)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)(NMnC)(CH3)2	C(NMnCC)(CCCN)(H)2	C(CCCN)(H)3	107.8672	8.507	4	107.8672	72.370	4	108.8454	31.623	12	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(OZn2)(CH3)2	C(CCCO)(CCHN)(H)2	C(CCCO)(H)3	C(CCHH)(OZn2)(CH3)2	C(CCCO)(CCHN)(H)2	C(CCCO)(H)3	109.7555	6.481	2	109.7555	41.999	2	109.8012	15.581	4	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(OZn2)(CH3)2	C(CCCO)(CHHN)(H)2	C(CCCO)(H)3	C(CCHH)(OZn2)(CH3)2	C(CCCO)(CHHN)(H)2	C(CCCO)(H)3	109.8470	2.176	2	109.8470	4.737	2	109.8012	15.581	4	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OAl2)(CH3)2	C(NAlCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(OAl2)(CH3)2	C(NAlCC)(CCCO)(H)2	C(CCCO)(H)3	111.1547	2.617	12	111.1547	6.850	12	110.9025	8.917	20	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OMg2)(CH3)2	C(NMgCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(OMg2)(CH3)2	C(NMgCC)(CCCO)(H)2	C(CCCO)(H)3	110.2507	3.390	4	110.2507	11.491	4	110.9025	8.917	20	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(OSn2)(CH3)2	C(NSnCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(OSn2)(CH3)2	C(NSnCC)(CCCO)(H)2	C(CCCO)(H)3	110.7978	4.362	4	110.7978	19.031	4	110.9025	8.917	20	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SCuC)(CH3)2	C(NCuCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SCuC)(CH3)2	C(NCuCC)(CCCS)(H)2	C(CCCS)(H)3	110.3140	5.272	2	110.3140	27.796	2	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SCuS)(CH3)2	C(NCuCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SCuS)(CH3)2	C(NCuCC)(CCCS)(H)2	C(CCCS)(H)3	111.1959	4.207	8	111.1959	17.702	8	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SFe2)(CH3)2	C(NFeCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SFe2)(CH3)2	C(NFeCC)(CCCS)(H)2	C(CCCS)(H)3	110.4325	4.173	4	110.4325	17.413	4	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNi2)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SNi2)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	111.1018	3.166	6	111.1018	10.026	6	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiC)(CH3)2	C(NNiCH)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SNiC)(CH3)2	C(NNiCH)(CCCS)(H)2	C(CCCS)(H)3	112.2660	1.375	2	112.2660	1.890	2	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiO)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SNiO)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	112.2105	3.697	2	112.2105	13.671	2	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C-4:S-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(SNiW)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(SNiW)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	111.4072	3.720	6	111.4072	13.841	6	111.1977	11.979	30	110.5446	12.962	82	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(OZn2)(CH3)2	C(CCCO)(CHHN)(CH3)(H)	C(CCCO)(H)3	C(CCCH)(OZn2)(CH3)2	C(CCCO)(CHHN)(CH3)(H)	C(CCCO)(H)3	110.8895	1.592	2	110.8895	2.534	2	110.8895	2.534	2	110.8895	2.534	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:4:2:	4:1:1:1:	C-4:O-3:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(OReH)(CH3)2	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	C(CCCO)(OReH)(CH3)2	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	113.9015	0.950	2	113.9015	0.902	2	113.9015	0.902	2	113.9015	0.902	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C-4:C-3:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CC[6a]N)(CH3)2	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC3)(H)3	C(CC[5]CC)(CC[6a]N)(CH3)2	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC3)(H)3	111.4485	1.712	2	111.4485	2.931	2	111.4485	2.931	2	111.9034	0.711	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C-4:N-3:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NOsH)(CH3)2	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(NOsH)(CH3)2	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	111.9710	0.684	2	111.9710	0.469	2	112.0550	0.299	6	111.9034	0.711	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:3:4:4:	4:4:4:4:	4:1:1:1:	C-4:N-3:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCN)(NRuH)(CH3)2	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(NRuH)(CH3)2	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	112.0970	0.579	4	112.0970	0.335	4	112.0550	0.299	6	111.9034	0.711	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:2:2:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	Se-2:Se-2:Se-2:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CSe3)(H)2	C(SeC[6a])3(CCHH)	C(CCHH)(COO)(H)2	C(CCHH)(CSe3)(H)2	C(SeC[6a])3(CCHH)	C(CCHH)(COO)(H)2	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:2:4:4:	4:4:4:1:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CCCH)(CCOO)(H)2	C(OC[6a])2(CCHH)(CH3)	C(CCHH)(CH3)2(H)	C(CCCH)(CCOO)(H)2	C(OC[6a])2(CCHH)(CH3)	C(CCHH)(CH3)2(H)	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6])(CCHH)(H)2	C(NC[6])(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6])(CCHH)(H)2	C(NC[6])(CCHH)(H)2	112.9160	0.000	1	112.9160	0.000	1	112.9160	0.000	1	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OC[5a])(CCHH)(H)2	C(OC[5a])(CCHH)(H)2	C(CHHO)2(H)2	C(OC[5a])(CCHH)(H)2	C(OC[5a])(CCHH)(H)2	113.8460	0.000	1	113.8460	0.000	1	113.8372	4.299	47	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OC[6])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	C(OC[6])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	113.2687	3.459	3	113.2687	11.962	3	113.8372	4.299	47	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	114.6825	1.534	4	114.6825	2.353	4	113.8372	4.299	47	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.5562	1.838	37	113.5562	3.377	37	113.8372	4.299	47	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OP[6])(CCHH)(H)2	C(OP[6])(CCHH)(H)2	C(CHHO)2(H)2	C(OP[6])(CCHH)(H)2	C(OP[6])(CCHH)(H)2	118.1935	0.706	2	118.1935	0.499	2	113.8372	4.299	47	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[5,6])(CCHH)(H)2	C(SC[6])(CCHH)(H)2	C(CHHS)2(H)2	C(SC[5,6])(CCHH)(H)2	C(SC[6])(CCHH)(H)2	113.8870	0.000	1	113.8870	0.000	1	113.7006	4.273	24	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	C(SC[5])(CCHH)(H)2	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	C(SC[5])(CCHH)(H)2	113.1502	2.114	13	113.1502	4.471	13	113.7006	4.273	24	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[5a])(CCHH)(H)2	C(SC[5a])(CCHH)(H)2	C(CHHS)2(H)2	C(SC[5a])(CCHH)(H)2	C(SC[5a])(CCHH)(H)2	114.8294	2.004	8	114.8294	4.017	8	113.7006	4.273	24	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6])(CCHH)(H)2	C(SC[6])(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6])(CCHH)(H)2	C(SC[6])(CCHH)(H)2	112.3300	0.000	1	112.3300	0.000	1	113.7006	4.273	24	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6a])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6a])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	113.0110	0.000	1	113.0110	0.000	1	113.7006	4.273	24	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C(CSeHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(SeC[5])(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(SeC[5])(CCHH)(H)2	112.7315	2.611	2	112.7315	6.819	2	112.7315	6.819	2	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	C(SeC[5])(CCHH)(H)2	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	C(SeC[5])(CCHH)(H)2	112.1015	4.929	2	112.1015	24.297	2	112.1015	24.297	2	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:H-1:O-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	113.2160	3.479	2	113.2160	12.103	2	113.2160	12.103	2	113.6946	4.522	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	2:4:4:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C(CCHS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(SC[6a])(CCHH)2(H)	C(CCHS)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(SC[6a])(CCHH)2(H)	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	I-2:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CFFI)(CF3)(F)2	C(IC[6a])(CCFF)(F)2	C(CCFF)(F)3	C(CFFI)(CF3)(F)2	C(IC[6a])(CCFF)(F)2	C(CCFF)(F)3	115.8430	0.000	1	115.8430	0.000	1	115.8430	0.000	1	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5])(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5])(CCHH)(H)2	C(CCHH)(H)3	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(H)3	112.8700	0.000	1	112.8700	0.000	1	112.7665	0.021	2	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(H)3	112.6630	0.000	1	112.6630	0.000	1	112.7665	0.021	2	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(Br)(H)2	114.4510	0.000	1	114.4510	0.000	1	113.1130	2.985	6	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(Br)(H)2	112.8454	1.787	5	112.8454	3.194	5	113.1130	2.985	6	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.9994	1.267	9	113.9994	1.607	9	113.9994	1.607	9	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(H)3	113.1210	0.000	1	113.1210	0.000	1	112.3153	3.684	258	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(OC[4])(CCHH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(OC[4])(CCHH)(H)2	C(CCHH)(H)3	112.5510	1.871	3	112.5510	3.502	3	112.3153	3.684	258	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(H)3	113.0135	0.848	2	113.0135	0.719	2	112.3153	3.684	258	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(H)3	117.5750	3.329	3	117.5750	11.081	3	112.3153	3.684	258	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(H)3	112.2402	1.830	249	112.2402	3.350	249	112.3153	3.684	258	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(H)3	112.6299	1.619	28	112.6299	2.620	28	112.2965	2.103	56	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(H)3	112.0235	1.941	2	112.0235	3.768	2	112.2965	2.103	56	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SC[6])(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SC[6])(CCHH)(H)2	C(CCHH)(H)3	111.8928	1.511	12	111.8928	2.283	12	112.2965	2.103	56	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(H)3	112.0146	0.863	14	112.0146	0.745	14	112.2965	2.103	56	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(CH3)(H)2	C(SeC[6])(CCHH)(H)2	C(CCHH)(H)3	C(CSeHH)(CH3)(H)2	C(SeC[6])(CCHH)(H)2	C(CCHH)(H)3	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	112.3980	3.449	334	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(SC)(H)2	112.4920	0.000	1	112.4920	0.000	1	112.4920	0.000	1	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CC)(H)2	113.6840	1.224	3	113.6840	1.499	3	113.6840	1.499	3	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	111.9778	0.955	4	111.9778	0.912	4	113.1593	1.712	10	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	113.2910	0.293	3	113.2910	0.086	3	113.1593	1.712	10	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OS)(H)2	C(CHHO)2(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(OS)(H)2	114.6030	0.552	3	114.6030	0.305	3	113.1593	1.712	10	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHO)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	115.8030	0.000	1	115.8030	0.000	1	115.8030	0.000	1	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CHHS)2(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(SC)(H)2	115.5540	0.000	1	115.5540	0.000	1	115.5540	0.000	1	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	C(CCHH)(SeC)(H)2	C(CSeHH)2(H)2	C(SeC[5])(CCHH)(H)2	C(CCHH)(SeC)(H)2	111.6670	0.628	2	111.6670	0.394	2	111.6670	0.394	2	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)(O)	C(OC[6])(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	C(OC[6])(CCHO)(H)2	C(CCHO)(OC)(H)2	113.9900	0.000	1	113.9900	0.000	1	112.2335	6.171	2	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CHHO)2(H)(O)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OC)(H)2	110.4770	0.000	1	110.4770	0.000	1	112.2335	6.171	2	113.2693	2.316	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.3580	0.000	1	112.3580	0.000	1	111.7770	0.675	2	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	111.1960	0.000	1	111.1960	0.000	1	111.7770	0.675	2	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	111.4330	0.000	1	111.4330	0.000	1	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.8380	0.000	1	113.8380	0.000	1	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHH)(H)2	109.2815	6.875	2	109.2815	47.268	2	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	111.8023	1.945	9	111.8023	3.783	9	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(COO)(H)2	112.5696	1.369	7	112.5696	1.873	7	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.4280	0.000	1	113.4280	0.000	1	111.9748	5.595	21	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	111.3777	0.673	3	111.3777	0.453	3	111.3777	0.453	3	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(COO)(H)2	113.4980	0.000	1	113.4980	0.000	1	113.4980	0.000	1	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSeHH)(CHHN)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CSeHH)(CHHN)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.6450	0.000	1	113.6450	0.000	1	113.6450	0.000	1	112.0107	4.434	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	N-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHN)(F)2	C(NC[6a])(CCFF)(H)2	C(CCFF)(CF3)(F)2	C(CCFF)(CHHN)(F)2	C(NC[6a])(CCFF)(H)2	C(CCFF)(CF3)(F)2	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(OB[6])(CCFF)(H)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(OB[6])(CCFF)(H)2	C(CCFF)2(F)2	116.6250	1.882	2	116.6250	3.543	2	118.7894	6.451	33	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(OC[6a])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	116.0820	0.373	2	116.0820	0.139	2	118.7894	6.451	33	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(OP[6])(CCFF)(H)2	C(CCFF)(CHHO)(F)2	116.5829	1.180	8	116.5829	1.393	8	118.7894	6.451	33	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	O-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(OP[6])(CCFF)(H)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(OP[6])(CCFF)(H)2	C(CCFF)2(F)2	120.0940	2.171	21	120.0940	4.714	21	118.7894	6.451	33	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	113.9580	0.000	1	113.9580	0.000	1	113.9580	0.000	1	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6135	0.627	2	113.6135	0.393	2	113.1975	2.140	8	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9980	0.540	2	112.9980	0.292	2	113.1975	2.140	8	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6])(CCHH)(H)2	C(CCHH)2(H)2	111.2930	0.000	1	111.2930	0.000	1	113.1975	2.140	8	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5005	3.051	2	113.5005	9.310	2	113.1975	2.140	8	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a])(CCHH)(H)2	C(CCHH)2(H)2	114.0630	0.000	1	114.0630	0.000	1	113.1975	2.140	8	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(OB[3x3,3x5,12x6])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	112.0570	0.000	1	112.0570	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OB[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)2(H)2	111.8810	0.000	1	111.8810	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(OB[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.5100	0.366	4	114.5100	0.134	4	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[4])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.7490	0.000	1	114.7490	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[4a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[4a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2000	0.000	1	114.2000	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5717	1.599	3	112.5717	2.558	3	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	116.1005	0.292	4	116.1005	0.085	4	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)2(H)2	112.6209	2.273	7	112.6209	5.168	7	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5757	0.837	3	113.5757	0.700	3	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.8703	0.961	3	113.8703	0.924	3	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)2(H)2	113.0519	1.313	13	113.0519	1.724	13	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCFF)(CCHH)(H)2	111.3150	0.120	2	111.3150	0.014	2	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0011	1.709	11	112.0011	2.920	11	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	116.0138	1.164	4	116.0138	1.354	4	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHP)(H)2	112.4510	0.000	1	112.4510	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)2(H)2	113.2993	1.575	30	113.2993	2.480	30	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.4282	0.759	6	112.4282	0.577	6	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCFF)(CCHH)(H)2	111.9510	2.566	3	111.9510	6.586	3	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0248	1.723	185	113.0248	2.968	185	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHI)(H)2	113.4410	0.000	1	113.4410	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.0903	0.405	3	112.0903	0.164	3	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.9490	2.023	83	113.9490	4.092	83	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)2(H)2	113.1600	2.079	550	113.1600	4.323	550	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CClHH)(CCHH)(H)2	113.1110	0.000	1	113.1110	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(ON[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(ON[5])(CCHH)(H)2	C(CCHH)2(H)2	117.1840	0.000	1	117.1840	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(ON[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(ON[6])(CCHH)(H)2	C(CCHH)2(H)2	115.7855	0.343	2	115.7855	0.118	2	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OP[4,5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9690	0.000	1	113.9690	0.000	1	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OP[6])(CCHH)(H)2	C(CCHH)2(H)2	113.1452	1.854	5	113.1452	3.437	5	113.2157	3.933	930	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CHHN)(CHHO)(H)2	C(OC[5a])(CCHH)(H)2	C(CCHH)(NCCH)(H)2	114.1570	0.000	1	114.1570	0.000	1	112.8466	15.533	5	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NC3)(H)2	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NC3)(H)2	109.8120	0.000	1	109.8120	0.000	1	112.8466	15.533	5	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(NH3)(H)2	113.4213	5.011	3	113.4213	25.108	3	112.8466	15.533	5	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCFF)(CCHH)(F)2	112.3577	3.485	3	112.3577	12.148	3	112.3577	12.148	3	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[3])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(SC[3])(CCHH)(H)2	C(CCHH)2(H)2	114.8140	0.028	2	114.8140	0.001	2	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3423	1.383	4	113.3423	1.913	4	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	112.4385	4.129	4	112.4385	17.052	4	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)2(H)2	113.2250	1.240	42	113.2250	1.537	42	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1800	5.161	4	114.1800	26.640	4	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	112.6715	1.285	23	112.6715	1.650	23	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)2(H)2	112.7972	1.592	9	112.7972	2.534	9	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1175	2.542	2	113.1175	6.462	2	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2395	0.771	6	112.2395	0.594	6	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	111.5348	0.705	9	111.5348	0.497	9	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)2(H)2	112.6892	1.352	14	112.6892	1.829	14	112.8796	2.838	119	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.3370	0.577	2	113.3370	0.333	2	113.1790	0.241	3	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(SeC[6a])(CCHH)(H)2	C(CCHH)2(H)2	112.8630	0.000	1	112.8630	0.000	1	113.1790	0.241	3	113.3411	4.831	1103	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CHHO)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.9472	1.349	8	113.9472	1.821	8	113.9472	1.821	8	113.9472	1.821	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(CC3)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)3	C(CHHO)(CC3)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH3)3	117.2865	1.582	4	117.2865	2.503	4	117.2865	2.503	4	117.2865	2.503	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CC)(H)	C(CCHH)2(H)2	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)(CCH)(H)	C(CCHH)(H)3	112.4600	0.000	1	112.4600	0.000	1	112.8220	0.262	2	113.0850	0.337	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(COO)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(COO)(H)	C(CCHH)(H)3	113.1840	0.000	1	113.1840	0.000	1	112.8220	0.262	2	113.0850	0.337	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[5])(CCHH)(COO)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[5])(CCHH)(COO)(H)	C(CCHH)(H)3	113.8340	0.000	1	113.8340	0.000	1	113.3480	0.472	2	113.0850	0.337	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[5a])(CCHH)(COO)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[5a])(CCHH)(COO)(H)	C(CCHH)(H)3	112.8620	0.000	1	112.8620	0.000	1	113.3480	0.472	2	113.0850	0.337	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(SC[5a])(CCHH)(CCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(SC[5a])(CCHH)(CCC)(H)	C(CCHH)2(H)2	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	117.8420	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:3:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	O-2:C-4:C-3:H-1:	C-4:C-4:C-3:C-3:	C(CCHO)(CC3)(H)2	C(ON[5])(CCHH)(CNO)(H)	C(CCHH)2(COO)2	C(CCHO)(CC3)(H)2	C(ON[5])(CCHH)(CNO)(H)	C(CCHH)2(COO)2	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(CH3)(H)	C(OP[5])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	C(OP[5])(CCHH)(CH3)(H)	C(OP[5])(CCHH)(H)2	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	2:4:4:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C(CCHO)2(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(OC[6a])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(OC[6a])(CCHH)(CH3)(H)	120.1390	0.000	1	120.1390	0.000	1	118.8445	3.351	2	117.6828	4.281	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	2:4:4:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C(CCHO)2(H)2	C(OP[5])(CCHH)(CH3)(H)	C(OP[5])(CCHH)(CH3)(H)	C(CCHO)2(H)2	C(OP[5])(CCHH)(CH3)(H)	C(OP[5])(CCHH)(CH3)(H)	117.5500	0.000	1	117.5500	0.000	1	118.8445	3.351	2	117.6828	4.281	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	2:4:4:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	S-2:C-4:C-4:H-1:	C(CCHS)2(H)2	C(SC[5])(CCHH)(CH3)(H)	C(SC[5])(CCHH)(CH3)(H)	C(CCHS)2(H)2	C(SC[5])(CCHH)(CH3)(H)	C(SC[5])(CCHH)(CH3)(H)	116.9083	2.153	3	116.9083	4.637	3	116.9083	4.637	3	117.6828	4.281	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHO)(CHHN)(H)2	C(OC[6])(CCHH)(CH3)(H)	C(NC[6a]S)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	C(OC[6])(CCHH)(CH3)(H)	C(NC[6a]S)(CCHH)(H)2	113.8803	0.631	6	113.8803	0.399	6	113.8803	0.399	6	114.0741	0.595	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHS)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHS)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(H)2	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	114.0741	0.595	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(OC[5])(CCHH)(CCHO)(H)	C(CCHH)(H)3	111.6730	0.000	1	111.6730	0.000	1	113.2543	1.678	25	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)2(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(OC[6])(CCHH)2(H)	C(CCHH)(H)3	113.2583	0.868	14	113.2583	0.754	14	113.2543	1.678	25	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(H)3	113.4068	1.755	10	113.4068	3.081	10	113.2543	1.678	25	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:F-1:F-1:H-1:	C(CCHS)(CFFH)(H)2	C(SC[6a])(CCHH)2(H)	C(CCHH)(F)2(H)	C(CCHS)(CFFH)(H)2	C(SC[6a])(CCHH)2(H)	C(CCHH)(F)2(H)	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[6a])(CCCH)(CCHH)(H)	C(CCHH)(H)3	112.9050	0.000	1	112.9050	0.000	1	113.0287	0.066	3	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHH)(H)3	113.3240	0.000	1	113.3240	0.000	1	113.0287	0.066	3	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[6a])(CCo2C)(CCHH)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[6a])(CCo2C)(CCHH)(H)	C(CCHH)(H)3	112.8570	0.000	1	112.8570	0.000	1	113.0287	0.066	3	113.2917	1.558	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(OC[6])(CCCO)(CCHH)(H)	C(CCHH)(CHHO)(H)2	113.6930	0.000	1	113.6930	0.000	1	114.3592	1.979	13	114.3592	1.979	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(OC[6])(CCHH)(CCHO)(H)	C(CCHH)2(H)2	112.8300	0.000	1	112.8300	0.000	1	114.3592	1.979	13	114.3592	1.979	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	115.8365	0.968	2	115.8365	0.937	2	114.3592	1.979	13	114.3592	1.979	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)2(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(OC[6a])(CCHH)2(H)	C(CCHH)2(H)2	114.4069	1.431	8	114.4069	2.049	8	114.3592	1.979	13	114.3592	1.979	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(OP[6])(CCHH)(CHHO)(H)	C(CCHH)2(H)2	113.2190	0.000	1	113.2190	0.000	1	114.3592	1.979	13	114.3592	1.979	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	C(CBrCH)(CCHH)(H)2	116.7600	0.000	1	116.7600	0.000	1	116.8010	0.003	2	116.8010	0.003	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(OC[6])(CCHH)(CCHO)(CH3)	C(CCHH)2(H)2	116.8420	0.000	1	116.8420	0.000	1	116.8010	0.003	2	116.8010	0.003	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(NC[5])(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(NC[5])(CCHH)(CH3)2	C(CCHH)(CH3)3	124.4843	0.531	3	124.4843	0.282	3	124.5736	0.257	5	124.5736	0.257	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	2:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-2:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(NC[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(NC[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	124.7075	0.636	2	124.7075	0.404	2	124.5736	0.257	5	124.5736	0.257	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:2:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(OC[6])(CCHH)(H)	C(CCHH)(OC)(H)2	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:2:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:O-2:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(OC[6a])(CCHH)(H)	C(CCHH)(NCC)(H)2	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:2:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CCHH)(NCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(H)	C(CCHH)(NCHH)(H)2	114.0197	1.235	3	114.0197	1.524	3	114.0197	1.524	3	114.0197	1.524	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:2:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CC3)(H)2	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CCHH)(CH3)3	C(CC[6a]HO)(CC3)(H)2	C(C[6a]C[6a]2)(ON[5])(CCHH)(H)	C(CCHH)(CH3)3	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:2:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]OO)(CH3)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CCHH)(H)3	C(CC[6a]OO)(CH3)(H)2	C(C[6a]C[6a]2)(OC[6a])(CCHH)(OC)	C(CCHH)(H)3	112.4375	0.054	2	112.4375	0.003	2	112.4375	0.003	2	112.4375	0.003	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]3)(CH3)(H)2	C(C[5a]C[5a]S[5a])3(CCHH)	C(CCHH)(H)3	C(CC[5a]3)(CH3)(H)2	C(C[5a]C[5a]S[5a])3(CCHH)	C(CCHH)(H)3	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	114.1515	0.158	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-3:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	C(CCHH)(H)3	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	114.1515	0.158	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C-2:H-1:H-1:	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CCHH)(CC)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CCHH)(CC)(H)2	114.3063	0.354	4	114.3063	0.125	4	114.3063	0.125	4	114.3063	0.125	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CCHH)2(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CCHH)2(H)2	114.5940	0.345	2	114.5940	0.119	2	114.2330	0.450	3	114.3815	0.389	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CClHH)(CCHH)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CCHH)	C(CClHH)(CCHH)(H)2	113.5110	0.000	1	113.5110	0.000	1	114.2330	0.450	3	114.3815	0.389	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:3:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:P-4:H-1:H-1:	C(CC[6a]3)(CHHP)(H)2	C(C[6a]C[6a]2)3(CCHH)	C(CCHH)(PO3)(H)2	C(CC[6a]3)(CHHP)(H)2	C(C[6a]C[6a]2)3(CCHH)	C(CCHH)(PO3)(H)2	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	114.3815	0.389	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:2:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:S-2:C-4:H-1:	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	116.5282	0.497	4	116.5282	0.247	4	115.5714	4.763	5	115.5714	4.763	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:2:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:S-2:C-4:H-1:	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	C(CC[6a]HN)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHH)(H)	111.7440	0.000	1	111.7440	0.000	1	115.5714	4.763	5	115.5714	4.763	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CC[6a]O)(CCHH)(H)2	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	112.0863	0.623	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CN[5]O)(CCHH)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CN[5]O)(CCHH)(H)2	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.0863	0.623	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(NC[6a]H)(CCHH)(H)2	113.0510	0.000	1	113.0510	0.000	1	113.0510	0.000	1	112.0863	0.623	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]N[5]H)(CC[6a]HH)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	112.0863	0.623	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-3:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CN[6]O)(CCHH)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)(H)	C(CN[6]O)(CCHH)(CH3)(H)	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5a]O)2(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5a]O)2(CCHH)(H)	C(CCHH)(H)3	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[5a]2H)(CClHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CCHH)(Cl)(H)2	C(CC[5a]2H)(CClHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CCHH)(Cl)(H)2	113.0290	0.000	1	113.0290	0.000	1	113.0290	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]2H)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CCHH)(H)3	C(CC[5a]2H)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(H)	C(CCHH)(H)3	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[5a]C[6a]H)(CF3)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(F)3	C(CC[5a]C[6a]H)(CF3)(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(F)3	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)(H)2	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	C(CC[5a]HN)(CH3)(H)2	C(C[5a]C[5a]N[5a])(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	112.3080	0.000	1	112.3080	0.000	1	113.2295	1.698	2	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)(H)	C(CCHH)(H)3	114.1510	0.000	1	114.1510	0.000	1	113.2295	1.698	2	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]C[6]H)(CF3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)(F)3	C(CC[6a]C[6]H)(CF3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)(F)3	114.5030	0.000	1	114.5030	0.000	1	114.5030	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)(H)3	112.6031	0.968	7	112.6031	0.936	7	112.6031	0.936	7	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	112.8360	0.000	1	112.8360	0.000	1	112.8855	0.937	133	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(H)3	112.8858	0.972	132	112.8858	0.945	132	112.8855	0.937	133	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	114.1875	0.655	2	114.1875	0.430	2	113.2403	1.208	7	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C(CCHH)(H)3	112.7485	0.122	2	112.7485	0.015	2	113.2403	1.208	7	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(NC[6]Zn)(CCHH)(H)	C(CCHH)(H)3	113.4080	1.708	2	113.4080	2.919	2	113.2403	1.208	7	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]N[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(H)3	111.9940	0.000	1	111.9940	0.000	1	113.2403	1.208	7	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:I-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C(CCHI)(H)3	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	C(CCHI)(H)3	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	112.9247	0.975	157	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]C[6a]H)(CHHO)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5a]C[6a]H)(CHHO)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(OH)(H)2	111.9220	0.000	1	111.9220	0.000	1	111.9220	0.000	1	112.0446	1.343	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-2:H-1:H-1:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(NC)(H)2	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(NC)(H)2	111.6900	1.001	2	111.6900	1.003	2	111.6900	1.003	2	112.0446	1.343	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]2H)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(OH)(H)2	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	112.0446	1.343	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:H-1:I-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C(CCHI)(OH)(H)2	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	C(CCHI)(OH)(H)2	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	112.0446	1.343	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:2:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-2:C-2:H-1:	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CN)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CN)2(H)	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]O)2(CCHH)(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]O)2(CCHH)(H)	C(CCHH)(COO)(H)2	112.4893	0.279	3	112.4893	0.078	3	112.4893	0.078	3	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(NC[6a]O)(CCHH)(H)	C(CCHH)(COO)(H)2	116.4310	0.000	1	116.4310	0.000	1	116.4310	0.000	1	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]2H)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C(CCHH)(NCH)(H)2	C(CC[5a]2H)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])2(CCHH)(H)	C(CCHH)(NCH)(H)2	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)(H)2	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]C[5]H)(CHHN)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CCHH)(NCS)(H)2	C(CC[6a]C[5]H)(CHHN)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)(H)	C(CCHH)(NCS)(H)2	112.9950	0.000	1	112.9950	0.000	1	112.9950	0.000	1	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:F-1:F-1:	C(CC[6a]2H)(CCFF)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)(F)2	C(CC[6a]2H)(CCFF)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)(F)2	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	113.6274	2.302	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[5a]C[6a]H)(CCHO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[5a]C[6a]H)(CCHO)(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CCH)(OH)(H)	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	112.3230	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C(CC[5a]C[6a]H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)2(H)	C(CC[5a]C[6a]H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(COO)2(H)	113.0630	0.000	1	113.0630	0.000	1	113.0630	0.000	1	113.5055	0.392	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(COO)2(H)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(COO)2(H)	113.9480	0.000	1	113.9480	0.000	1	113.9480	0.000	1	113.5055	0.392	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]2H)(CCHH)(H)2	C(C[5]N[5]2)2(CCHH)(H)	C(CCHH)2(H)2	C(CC[5]2H)(CCHH)(H)2	C(C[5]N[5]2)2(CCHH)(H)	C(CCHH)2(H)2	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]C[5a,6]S[5a])2(CCHH)(H)	C(CCHH)(CH3)(H)2	113.0860	0.000	1	113.0860	0.000	1	113.6980	0.749	2	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]N[5a]2)2(CCHH)(H)	C(CCHH)2(H)2	C(CC[5a]2H)(CCHH)(H)2	C(C[5a]N[5a]2)2(CCHH)(H)	C(CCHH)2(H)2	114.3100	0.000	1	114.3100	0.000	1	113.6980	0.749	2	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]C[6a]H)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]C[6a]H)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)(H)2	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]2H)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(H)	C(CCHH)2(H)2	C(CC[6]2H)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(H)	C(CCHH)2(H)2	113.9130	0.000	1	113.9130	0.000	1	113.9130	0.000	1	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HP)(CCHH)(H)2	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CCHH)2(H)2	116.3395	2.091	2	116.3395	4.372	2	116.3395	4.372	2	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[6]O)(CCHH)(H)	C(CCHH)2(H)2	112.7070	1.450	2	112.7070	2.101	2	112.7070	2.101	2	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C(CCHH)2(H)2	113.7767	2.391	3	113.7767	5.715	3	113.7767	5.715	3	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CCHS)(H)2	114.6130	0.528	3	114.6130	0.279	3	113.5317	1.971	150	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CH3)(H)2	113.6452	1.429	109	113.6452	2.041	109	113.5317	1.971	150	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CHOO)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CHOO)(H)2	111.9620	0.000	1	111.9620	0.000	1	113.5317	1.971	150	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)2(H)2	113.1428	1.307	36	113.1428	1.709	36	113.5317	1.971	150	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)2(H)2	113.4810	0.000	1	113.4810	0.000	1	113.5317	1.971	150	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	112.0850	0.000	1	112.0850	0.000	1	113.1815	12.638	4	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CC[6a]2H)(CHHN)(H)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(NCCH)(H)2	113.5470	4.261	3	113.5470	18.155	3	113.1815	12.638	4	113.5666	2.240	166	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]HN)(CCHO)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[5a]HN)(CCHO)(H)2	C(C[5a]C[5a]S[5a])(NC[6a]H)(CCHH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	114.1040	0.940	2	114.1040	0.884	2	114.1040	0.884	2	115.0076	3.349	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]2H)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CHHO)(OC)(H)	115.3785	0.146	2	115.3785	0.021	2	115.3785	0.021	2	115.0076	3.349	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CCHH)(CH3)(OH)(H)	113.4980	0.000	1	113.4980	0.000	1	115.2740	6.781	4	115.0076	3.349	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(CCHH)(H)	C(CC[6a]HH)(CCHH)(OH)(H)	115.8660	2.841	3	115.8660	8.069	3	115.2740	6.781	4	115.0076	3.349	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCC)(H)	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCC)(H)	114.7750	0.000	1	114.7750	0.000	1	114.9305	0.048	2	114.4337	0.765	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	115.0860	0.000	1	115.0860	0.000	1	114.9305	0.048	2	114.4337	0.765	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	113.4400	0.000	1	113.4400	0.000	1	113.4400	0.000	1	114.4337	0.765	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C(CC[6a]C[5]H)(CC[5]CC)(H)2	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	118.1740	0.000	1	118.1740	0.000	1	118.1740	0.000	1	117.2275	1.792	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:C-3:C-3:	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HO)(CCHH)(COO)2	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CCHH)(H)	C(CC[6a]HO)(CCHH)(COO)2	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	117.2275	1.792	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]2H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CCHH)2(CC3)(H)	C(CC[5a]2H)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(CCHH)(H)	C(CCHH)2(CC3)(H)	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	115.2796	1.674	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]2H)(CCCH)(H)2	C(C[6]C[6]2)2(CCHH)(H)	C(CCHH)(CH3)2(H)	C(CC[6]2H)(CCCH)(H)2	C(C[6]C[6]2)2(CCHH)(H)	C(CCHH)(CH3)2(H)	114.5075	0.535	4	114.5075	0.287	4	114.5075	0.287	4	115.2796	1.674	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CH3)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(CH3)2(H)	115.5420	0.301	2	115.5420	0.091	2	115.5420	0.091	2	115.2796	1.674	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[5a]N[6]H)(CC3)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CCHH)(CH3)3	C(CC[5a]N[6]H)(CC3)(H)2	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CCHH)(CH3)3	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[6]-3:C-4:H-1:H-1:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg)	C(N[6]C[6]2)(CCHH)(H)2	112.0430	0.000	2	112.0430	0.000	2	112.0430	0.000	2	112.0430	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:F-1:H-1:	N[5a]-3:C[6a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C(CCFH)(H)3	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C(CCFH)(H)3	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	113.6238	1.471	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6]2O)(CH3)(H)2	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CCHH)(H)3	C(CC[6]2O)(CH3)(H)2	C(C[6]C[6]N[6])2(CCHH)(OC)	C(CCHH)(H)3	114.8630	0.000	1	114.8630	0.000	1	114.8630	0.000	1	113.6238	1.471	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:Cl-1:Cl-1:H-1:	C(CC[6a]2N)(CCl2H)(H)2	C(C[6a]C[6a]2)2(CCHH)(NC)	C(CCHH)(Cl)2(H)	C(CC[6a]2N)(CCl2H)(H)2	C(C[6a]C[6a]2)2(CCHH)(NC)	C(CCHH)(Cl)2(H)	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	113.6238	1.471	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:Cl-1:H-1:H-1:	C(CC[6a]2O)(CClHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(Cl)(H)2	C(CC[6a]2O)(CClHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(Cl)(H)2	111.9980	0.000	1	111.9980	0.000	1	111.9980	0.000	1	113.6238	1.471	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]2O)(CH3)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C(CCHH)(H)3	C(CC[6a]2O)(CH3)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(OC)	C(CCHH)(H)3	112.7180	0.000	1	112.7180	0.000	1	112.7180	0.000	1	113.6238	1.471	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C-4:C-2:	C-4:C-3:H-1:H-1:	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CCHH)(CCO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CCHH)(CCO)(H)2	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:O-2:	N[6]-4:C-4:H-1:H-1:	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCHH)(OH)	C(N[6]C[6]2C)(CCHH)(H)2	111.8220	1.035	2	111.8220	1.072	2	111.8220	1.072	2	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CCHH)2(H)2	116.9240	0.457	2	116.9240	0.209	2	116.9240	0.209	2	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CC[6a]2C)(CCHH)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C(CCHH)2(H)2	C(CC[6a]2C)(CCHH)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C(CCHH)2(H)2	113.0830	0.766	4	113.0830	0.587	4	113.0830	0.587	4	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CHHN)(H)2	115.7041	1.615	7	115.7041	2.609	7	115.3831	3.060	8	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)2(H)2	C(CC[6a]2O)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)2(H)2	113.1360	0.000	1	113.1360	0.000	1	115.3831	3.060	8	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	N[6]-4:C-4:H-1:H-1:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(N[6]C[6]2H)(CCHH)(H)2	112.2125	2.504	2	112.2125	6.269	2	112.2125	6.269	2	114.2952	4.754	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:O-2:H-1:	C(CC[6a]2O)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCCH)(CCHH)(OH)(H)	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	115.5870	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:2:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:N-3:H-1:	C(CC[6a]2C)(CCHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CCHH)(CH3)(NCC)(H)	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]C[6a]N)(CC[6a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(NCH)	C(C[6a]C[6a]2)(CCHH)(H)2	112.1030	0.000	1	112.1030	0.000	1	112.1030	0.000	1	113.9067	4.770	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	N[6]-3:C-4:H-1:H-1:	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(N[6]C[6]2)(CCHH)(H)2	114.8085	2.159	2	114.8085	4.660	2	114.8085	4.660	2	113.9067	4.770	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:Br-1:H-1:H-1:	C(CC[6a]2C)(CBrHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	C(CCHH)(Br)(H)2	C(CC[6a]2C)(CBrHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	C(CCHH)(Br)(H)2	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	115.5122	5.405	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC[6a]2C)(CF3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(CCHH)(F)3	C(CC[6a]2C)(CF3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(CCHH)(F)3	117.9505	0.203	2	117.9505	0.041	2	117.9505	0.041	2	115.5122	5.405	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCO)	C(CCHH)(H)3	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCO)	C(CCHH)(H)3	114.4710	0.000	1	114.4710	0.000	1	114.4280	0.004	2	115.5122	5.405	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	C(CCHH)(H)3	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(COO)	C(CCHH)(H)3	114.3850	0.000	1	114.3850	0.000	1	114.4280	0.004	2	115.5122	5.405	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:O-2:H-1:H-1:	C(CC[6a]2C)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	C(CCHH)(OC)(H)2	C(CC[6a]2C)(CHHO)(H)2	C(C[6a]C[6a]2)2(CCHH)(CCH)	C(CCHH)(OC)(H)2	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-3:	C-4:C-4:H-1:H-1:	C(CC[6]2O)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C(CCHH)2(H)2	C(CC[6]2O)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C(CCHH)2(H)2	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	113.8858	1.514	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	N[6]-4:C-4:H-1:H-1:	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CNO)	C(N[6]C[6]2H)(CCHH)(H)2	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	113.8858	1.514	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CC[6a]2N)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C(CCHH)2(H)2	C(CC[6a]2N)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C(CCHH)2(H)2	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.8858	1.514	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-3:	N[6]-4:C-4:H-1:H-1:	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg2)	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OMg2)	C(N[6]C[6]2Mg)(CCHH)(H)2	114.9777	0.290	3	114.9777	0.084	3	114.9777	0.084	3	113.8858	1.514	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(C[5a]C[5a]N[5a])(CCHH)(H)2	116.0264	2.731	10	116.0264	7.458	10	116.0264	7.458	10	116.0264	7.458	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CC[5a]O)2(CCHH)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CC[5a]O)2(CCHH)2	C(CCHH)(H)3	114.1425	0.149	2	114.1425	0.022	2	114.1425	0.022	2	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5])2(CCHH)2	C(CCHH)(H)3	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5])2(CCHH)2	C(CCHH)(H)3	115.9515	0.716	4	115.9515	0.512	4	115.9515	0.512	4	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)2	C(CCHH)(H)3	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)2	C(CCHH)(H)3	115.2897	1.107	84	115.2897	1.226	84	115.2581	1.153	91	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C(CCHH)(H)3	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)(CH3)	C(CCHH)(H)3	115.2740	0.000	1	115.2740	0.000	1	115.2581	1.153	91	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)(H)3	C(CC[5a]2C)(CH3)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)(H)3	114.8128	0.389	6	114.8128	0.151	6	115.2581	1.153	91	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]C)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C(CCHH)(H)3	C(CC[5a]C[6a]C)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)(CHHN)	C(CCHH)(H)3	114.4070	0.554	2	114.4070	0.307	2	114.4070	0.307	2	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CCHH)(H)3	C(CC[6a]2C)(CH3)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CCHH)(H)3	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	115.2588	1.141	100	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[5]O)2(CCHH)(CH3)	C(CCHH)(COO)(H)2	C(CCHH)(CC3)(H)2	C(CC[5]O)2(CCHH)(CH3)	C(CCHH)(COO)(H)2	114.5820	2.873	3	114.5820	8.253	3	114.5820	8.253	3	113.9867	2.862	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C(CC[5]2C)(CHHN)(H)2	C(C[5]N[5]O[5])2(CCHH)(CH3)	C(CCHH)(NHS)(H)2	C(CC[5]2C)(CHHN)(H)2	C(C[5]N[5]O[5])2(CCHH)(CH3)	C(CCHH)(NHS)(H)2	112.7110	0.000	1	112.7110	0.000	1	112.7110	0.000	1	113.9867	2.862	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)(CNO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)(CNO)(H)2	113.9017	1.142	6	113.9017	1.304	6	113.9017	1.304	6	113.9867	2.862	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]C[5]C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C(CClHH)(CCHH)(H)2	C(CC[5a]C[5]C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CCHH)(CH3)	C(CClHH)(CCHH)(H)2	116.6740	3.087	2	116.6740	9.531	2	116.6740	9.531	2	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)(CHHO)(H)2	116.9390	0.659	3	116.9390	0.435	3	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CCHH)2(H)2	115.6627	1.285	6	115.6627	1.651	6	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CClHH)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]N[5a])2(CCHH)(CH3)	C(CClHH)(CCHH)(H)2	115.2850	0.030	2	115.2850	0.001	2	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)2	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]O[5a])2(CCHH)2	C(CCHH)2(H)2	116.3985	0.755	16	116.3985	0.570	16	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)(CH3)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)(CH3)(H)2	114.7117	1.634	6	114.7117	2.670	6	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(C[5a]C[5a]S[5a])2(CCHH)2	C(CCHH)2(H)2	116.2854	0.922	16	116.2854	0.851	16	116.0526	1.288	49	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)2	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	C(C[6]C[6]N[6])2(CCHH)2	C(CCHH)2(H)2	114.0165	1.754	2	114.0165	3.078	2	114.0165	3.078	2	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]2N)(CCHH)(H)2	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C(CCHH)2(H)2	C(CC[6]2N)(CCHH)(H)2	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C(CCHH)2(H)2	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:P-4:H-1:H-1:	C(CC[6a]2C)(CHHP)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C(CCHH)(PO3)(H)2	C(CC[6a]2C)(CHHP)(H)2	C(C[6a]C[6a]N[6a])2(CCHH)(CH3)	C(CCHH)(PO3)(H)2	113.0180	2.148	2	113.0180	4.615	2	113.0180	4.615	2	115.9782	2.338	56	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:3:4:4:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[6a]2C)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CCHH)(CH3)2(H)	C(CC[6a]2C)(CCCH)(H)2	C(C[6a]C[6a]2)2(CCHH)(CH3)	C(CCHH)(CH3)2(H)	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]C)(CCHH)(H)2	C(ON[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]C)(CCHH)(H)2	C(ON[5])(CCHH)(H)2	113.1237	0.776	3	113.1237	0.602	3	113.1237	0.602	3	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.2195	0.886	2	112.2195	0.785	2	112.2195	0.785	2	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.0510	0.000	1	112.0510	0.000	1	112.5723	0.313	12	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.2527	0.723	3	113.2527	0.523	3	112.5723	0.313	12	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.3824	0.253	8	112.3824	0.064	8	112.5723	0.313	12	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CC[5a]HH)(CHHS)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CC[5a]HH)(CHHS)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	114.1590	0.000	1	114.1590	0.000	1	113.6367	0.268	3	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(OC[6])(CCHH)(H)2	113.3755	0.356	2	113.3755	0.127	2	113.6367	0.268	3	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.6014	1.976	5	112.6014	3.905	5	112.6014	3.905	5	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[5a]C)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	C(NC[5a]C)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	104.9020	0.000	1	104.9020	0.000	1	104.9020	0.000	1	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6a]S)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6a]S)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	114.1330	0.000	1	114.1330	0.000	1	114.1330	0.000	1	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(OC[5])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(OC[5])(CCHH)(H)2	112.1590	0.552	2	112.1590	0.304	2	111.7875	11.159	6	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	107.9870	0.000	1	107.9870	0.000	1	111.7875	11.159	6	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.8067	4.339	3	112.8067	18.828	3	111.7875	11.159	6	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	113.2270	0.000	1	113.2270	0.000	1	113.6240	0.315	2	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	114.0210	0.000	1	114.0210	0.000	1	113.6240	0.315	2	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	110.8975	0.564	2	110.8975	0.318	2	110.7454	1.708	7	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.8300	0.000	1	112.8300	0.000	1	110.7454	1.708	7	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	109.6597	0.790	3	109.6597	0.624	3	110.7454	1.708	7	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	111.6140	0.000	1	111.6140	0.000	1	110.7454	1.708	7	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.1498	1.451	19	112.1498	2.104	19	112.1498	2.104	19	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.0163	2.447	3	113.0163	5.989	3	113.0163	5.989	3	112.2079	3.567	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:3:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CC[6a]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	114.3012	2.062	16	114.3012	4.251	16	114.3012	4.251	16	114.3012	4.251	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:3:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-3:C-4:Br-1:H-1:	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]O)(CBrCH)(Br)(H)	C(CC[6a]BrH)(CBrCH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Br)(H)	C(CC[6a]O)(CBrCH)(Br)(H)	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:F-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(F)(H)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C(NC[6a]H)(CCFH)(H)2	C(CN[5a]HH)(CHHN)(F)(H)	C(N[5a]C[5a,6a]2)(CCFH)(H)2	C(NC[6a]H)(CCFH)(H)2	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C(CB[5]HH)2(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	C(CB[5]HH)2(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	111.4437	1.314	3	111.4437	1.726	3	111.4437	1.726	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[6,6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	110.9576	0.671	5	110.9576	0.450	5	110.9576	0.450	5	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	114.4930	0.000	1	114.4930	0.000	1	113.4210	1.544	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	112.0590	0.000	1	112.0590	0.000	1	113.4210	1.544	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	C(CN[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	C(CN[5a]O)(CCHH)(H)2	113.7110	0.000	1	113.7110	0.000	1	113.4210	1.544	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]C)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]C)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	114.2790	0.000	1	114.2790	0.000	1	112.0077	4.239	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	110.8720	0.860	2	110.8720	0.739	2	112.0077	4.239	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	113.9442	0.457	5	113.9442	0.209	5	113.9442	0.209	5	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	113.2867	0.618	4	113.2867	0.382	4	112.6320	2.646	10	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	112.1955	1.991	6	112.1955	3.962	6	112.6320	2.646	10	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	112.6757	2.916	3	112.6757	8.503	3	112.6757	8.503	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)2(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	113.7953	0.445	3	113.7953	0.198	3	112.5582	2.122	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)2(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C(CC[5a]HH)2(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	C(C[5a]N[5a,5a]C[5a])(CCHH)(H)2	112.0630	0.000	1	112.0630	0.000	1	112.5582	2.122	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)2(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)2(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	110.9500	0.453	2	110.9500	0.205	2	112.5582	2.122	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	114.5630	0.000	1	114.5630	0.000	1	114.2160	0.241	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.8690	0.000	1	113.8690	0.000	1	114.2160	0.241	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(NC[5a]S)(CCHH)(H)2	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	114.2290	0.000	1	114.2290	0.000	1	115.0950	1.500	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	115.9610	0.000	1	115.9610	0.000	1	115.0950	1.500	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	111.6692	1.289	27	111.6692	1.661	27	111.7403	1.647	29	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	112.6995	0.975	2	112.6995	0.951	2	111.7403	1.647	29	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	114.1370	0.000	1	114.1370	0.000	1	112.8220	1.764	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	112.8480	0.000	1	112.8480	0.000	1	112.8220	1.764	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	111.4810	0.000	1	111.4810	0.000	1	112.8220	1.764	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	111.9059	1.420	17	111.9059	2.017	17	111.9059	2.017	17	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	118.0772	2.642	4	118.0772	6.979	4	116.1717	14.381	98	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	112.2517	0.622	3	112.2517	0.387	3	116.1717	14.381	98	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	116.2402	3.834	90	116.2402	14.698	90	116.1717	14.381	98	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	114.1390	0.000	1	114.1390	0.000	1	116.1717	14.381	98	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	113.5646	0.922	5	113.5646	0.849	5	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NB[5]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NB[5]2)(CCHH)(H)2	110.8770	0.000	1	110.8770	0.000	1	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	113.1800	0.000	1	113.1800	0.000	1	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[5a]H)(CCHH)(H)2	111.6950	0.000	1	111.6950	0.000	1	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	111.5555	0.442	2	111.5555	0.195	2	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	113.6117	2.805	3	113.6117	7.867	3	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	110.2410	0.000	1	110.2410	0.000	1	112.6973	2.984	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	111.9925	1.059	2	111.9925	1.121	2	111.9925	1.121	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	112.3610	0.726	11	112.3610	0.527	11	112.3610	0.527	11	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]2)(CCHH)(H)2	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CC[6a]O)(CCHH)(H)2	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(NC[3x6]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(NC[3x6]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NB[5a]H)(CCHH)(H)2	C(NB[5a]H)(CCHH)(H)2	C(CHHN)2(H)2	C(NB[5a]H)(CCHH)(H)2	C(NB[5a]H)(CCHH)(H)2	112.9190	0.000	1	112.9190	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[5]H)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[5]H)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	115.0310	0.000	1	115.0310	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	115.0750	0.000	1	115.0750	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	114.0209	1.207	7	114.0209	1.458	7	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]S)(CCHH)(H)2	113.9318	0.503	6	113.9318	0.253	6	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]Cu)(CCHH)(H)2	C(NC[6a]Cu)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]Cu)(CCHH)(H)2	C(NC[6a]Cu)(CCHH)(H)2	114.9190	0.000	1	114.9190	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]Pb)(CCHH)(H)2	C(NC[6a]Pb)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]Pb)(CCHH)(H)2	C(NC[6a]Pb)(CCHH)(H)2	116.4060	0.000	1	116.4060	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]Re)(CCHH)(H)2	C(NC[6a]Re)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]Re)(CCHH)(H)2	C(NC[6a]Re)(CCHH)(H)2	112.0890	0.000	1	112.0890	0.000	1	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]Sn)(CCHH)(H)2	C(NC[6a]Sn)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]Sn)(CCHH)(H)2	C(NC[6a]Sn)(CCHH)(H)2	115.7082	1.279	8	115.7082	1.636	8	114.5867	1.893	27	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	C(SC[6a]O)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	C(SC[6a]O)(CCHH)(H)2	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C(CN[4]HH)2(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CN[4]HH)2(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	113.4108	2.554	4	113.4108	6.524	4	113.4108	6.524	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	114.0410	1.752	2	114.0410	3.070	2	114.0410	3.070	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	114.4240	0.531	3	114.4240	0.282	3	113.2585	5.622	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	109.7620	0.000	1	109.7620	0.000	1	113.2585	5.622	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	111.3230	0.000	1	111.3230	0.000	1	112.0455	1.026	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	112.1900	1.061	5	112.1900	1.127	5	112.0455	1.026	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	114.5029	2.305	13	114.5029	5.315	13	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	116.3643	0.322	3	116.3643	0.103	3	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	C(N[5]C[5,6a]Se[5])(CCHH)(H)2	107.6420	0.000	1	107.6420	0.000	1	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	113.8589	2.445	56	113.8589	5.980	56	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	113.6342	1.879	4	113.6342	3.532	4	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]N[5]2)(CCHH)(H)2	C(N[5]N[5]2)(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]N[5]2)(CCHH)(H)2	C(N[5]N[5]2)(CCHH)(H)2	113.5130	0.000	1	113.5130	0.000	1	113.9669	6.049	78	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	113.9615	2.042	10	113.9615	4.169	10	113.6029	5.167	11	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	110.0170	0.000	1	110.0170	0.000	1	113.6029	5.167	11	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	114.4815	0.276	2	114.4815	0.076	2	114.4815	0.076	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.2490	0.908	4	113.2490	0.824	4	112.6916	1.070	8	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	111.7080	0.806	2	111.7080	0.650	2	112.6916	1.070	8	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	112.5605	1.077	2	112.5605	1.160	2	112.6916	1.070	8	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	112.4415	0.497	2	112.4415	0.247	2	112.4415	0.247	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	112.2910	0.601	2	112.2910	0.361	2	112.2627	2.066	20	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	111.7600	0.000	1	111.7600	0.000	1	112.2627	2.066	20	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	111.7931	0.986	11	111.7931	0.971	11	112.2627	2.066	20	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	113.7880	0.557	2	113.7880	0.310	2	112.2627	2.066	20	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CN[5]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	112.9027	2.575	4	112.9027	6.631	4	112.2627	2.066	20	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	115.8630	0.273	2	115.8630	0.074	2	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	117.1063	3.536	3	117.1063	12.507	3	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	112.4235	2.672	4	112.4235	7.140	4	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	110.6490	0.545	3	110.6490	0.297	3	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	115.3270	0.000	1	115.3270	0.000	1	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	114.7482	0.704	5	114.7482	0.495	5	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	114.8670	0.000	1	114.8670	0.000	1	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	112.9080	0.358	2	112.9080	0.128	2	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	113.7546	2.061	9	113.7546	4.248	9	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	114.5700	0.000	1	114.5700	0.000	1	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)2(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	107.9620	0.000	1	107.9620	0.000	1	113.7737	6.648	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	111.3405	1.153	2	111.3405	1.330	2	111.3405	1.330	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	113.4353	1.189	6	113.4353	1.413	6	113.4353	1.413	6	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[3x6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[3x6]O)(CCHH)(H)2	113.9290	0.000	1	113.9290	0.000	1	111.9782	2.008	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	115.1460	0.000	1	115.1460	0.000	1	111.9782	2.008	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	112.9510	0.000	1	112.9510	0.000	1	111.9782	2.008	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	111.4245	0.891	11	111.4245	0.794	11	111.9782	2.008	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	112.1725	0.159	2	112.1725	0.025	2	112.1725	0.025	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	115.9250	0.000	1	115.9250	0.000	1	111.3939	6.968	15	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	110.8015	0.081	2	110.8015	0.007	2	111.3939	6.968	15	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	110.9550	0.000	1	110.9550	0.000	1	111.3939	6.968	15	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	110.6379	2.328	10	110.6379	5.417	10	111.3939	6.968	15	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	C(N[6]C[6]P[6])(CCHH)(H)2	116.0460	0.000	1	116.0460	0.000	1	111.3939	6.968	15	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C(CN[6]HH)(CO[4]HH)(H)2	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(O[4]Ga[4]2)(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(O[4]Ga[4]2)(CCHH)(H)2	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	112.6667	2.137	3	112.6667	4.567	3	112.6667	4.567	3	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	112.7451	2.022	13	112.7451	4.089	13	112.7451	4.089	13	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CN[6a]HH)2(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CN[6a]HH)2(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	109.4360	0.000	1	109.4360	0.000	1	111.3625	7.423	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CN[6a]HH)2(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CN[6a]HH)2(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	113.2890	0.000	1	113.2890	0.000	1	111.3625	7.423	2	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)2(H)2	C(OC[6a]Li)(CCHH)(H)2	C(OC[6]Li)(CCHH)(H)2	C(CHHO)2(H)2	C(OC[6a]Li)(CCHH)(H)2	C(OC[6]Li)(CCHH)(H)2	115.1885	0.960	4	115.1885	0.921	4	115.1885	0.921	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6]C)(CCHH)(H)2	C(PC[6]C)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6]C)(CCHH)(H)2	C(PC[6]C)(CCHH)(H)2	114.8840	0.000	1	114.8840	0.000	1	114.0327	1.328	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]C)(CCHH)(H)2	C(PC[6a]C)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]C)(CCHH)(H)2	C(PC[6a]C)(CCHH)(H)2	113.3600	1.452	2	113.3600	2.109	2	114.0327	1.328	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]H)(CCHH)(H)2	C(PC[6a]H)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]H)(CCHH)(H)2	C(PC[6a]H)(CCHH)(H)2	114.5270	0.000	1	114.5270	0.000	1	114.0327	1.328	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6]Cu)(CCHH)(H)2	C(SC[6]Cu)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6]Cu)(CCHH)(H)2	C(SC[6]Cu)(CCHH)(H)2	115.3270	0.226	2	115.3270	0.051	2	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6]Ni)(CCHH)(H)2	C(SC[6]Ni)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6]Ni)(CCHH)(H)2	C(SC[6]Ni)(CCHH)(H)2	115.7882	1.331	6	115.7882	1.771	6	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6a]Co)(CCHH)(H)2	C(SC[6a]Co)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6a]Co)(CCHH)(H)2	C(SC[6a]Co)(CCHH)(H)2	114.9810	0.000	1	114.9810	0.000	1	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6a]O)(CCHH)(H)2	C(SC[6a]O)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6a]O)(CCHH)(H)2	C(SC[6a]O)(CCHH)(H)2	110.2270	0.000	1	110.2270	0.000	1	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6a]Ru)(CCHH)(H)2	C(SC[6a]Ru)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6a]Ru)(CCHH)(H)2	C(SC[6a]Ru)(CCHH)(H)2	117.8495	1.473	2	117.8495	2.169	2	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SCoNi)(CCHH)(H)2	C(SCoNi)(CCHH)(H)2	C(CHHS)2(H)2	C(SCoNi)(CCHH)(H)2	C(SCoNi)(CCHH)(H)2	114.7597	0.673	4	114.7597	0.453	4	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SCuNi)(CCHH)(H)2	C(SCuNi)(CCHH)(H)2	C(CHHS)2(H)2	C(SCuNi)(CCHH)(H)2	C(SCuNi)(CCHH)(H)2	118.2065	0.493	2	118.2065	0.243	2	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SFeMo)(CCHH)(H)2	C(SFeMo)(CCHH)(H)2	C(CHHS)2(H)2	C(SFeMo)(CCHH)(H)2	C(SFeMo)(CCHH)(H)2	113.8480	0.000	1	113.8480	0.000	1	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SFeNi)(CCHH)(H)2	C(SFeNi)(CCHH)(H)2	C(CHHS)2(H)2	C(SFeNi)(CCHH)(H)2	C(SFeNi)(CCHH)(H)2	116.3163	1.868	12	116.3163	3.490	12	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SFePd)(CCHH)(H)2	C(SFePd)(CCHH)(H)2	C(CHHS)2(H)2	C(SFePd)(CCHH)(H)2	C(SFePd)(CCHH)(H)2	115.0540	0.000	1	115.0540	0.000	1	115.8263	3.713	32	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(SeC[5]Pd)(CCHH)(H)2	114.1120	0.574	2	114.1120	0.330	2	114.2880	0.168	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pt)(CCHH)(H)2	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)(CHHS)(H)2	C(SC[6a]Pt)(CCHH)(H)2	C(SeC[5]Pt)(CCHH)(H)2	114.4640	0.222	2	114.4640	0.049	2	114.2880	0.168	4	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[5]Cu)(CCHH)(H)2	C(SeCuC)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeC[5]Cu)(CCHH)(H)2	C(SeCuC)(CCHH)(H)2	125.6335	6.189	2	125.6335	38.308	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[5]Pd)(CCHH)(H)2	C(SePdC)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeC[5]Pd)(CCHH)(H)2	C(SePdC)(CCHH)(H)2	115.0070	1.728	2	115.0070	2.987	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[5]Pt)(CCHH)(H)2	C(SeC[5]Pt)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeC[5]Pt)(CCHH)(H)2	C(SeC[5]Pt)(CCHH)(H)2	116.2170	0.000	1	116.2170	0.000	1	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(SeC[5]Pd)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(SeC[5]Pd)(CCHH)(H)2	113.5495	0.709	2	113.5495	0.503	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeCuC)(CCHH)(H)2	C(SeCuC)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeCuC)(CCHH)(H)2	C(SeCuC)(CCHH)(H)2	115.2310	0.000	1	115.2310	0.000	1	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeFeNi)(CCHH)(H)2	C(SeFeNi)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeFeNi)(CCHH)(H)2	C(SeFeNi)(CCHH)(H)2	116.8790	2.539	2	116.8790	6.444	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeMnC)(CCHH)(H)2	C(SeMnC)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeMnC)(CCHH)(H)2	C(SeMnC)(CCHH)(H)2	117.2500	1.479	2	117.2500	2.188	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(H)2	C(SeReC)(CCHH)(H)2	C(SeReC)(CCHH)(H)2	C(CSeHH)2(H)2	C(SeReC)(CCHH)(H)2	C(SeReC)(CCHH)(H)2	117.7640	0.392	2	117.7640	0.153	2	117.4010	18.017	14	113.9124	8.429	542	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[4]-3:C-4:C-4:H-1:	C(CC[6a]HH)(CN[4]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)2(H)	C(CC[6a]HH)(CN[4]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)2(H)	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	115.7370	0.078	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.7370	0.078	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CC[5]O)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CC[5]O)(CCFF)(F)2	C(CCFF)(F)3	115.6200	0.000	1	115.6200	0.000	1	115.8977	0.433	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CC[5a]C[5])(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CC[5a]C[5])(CCFF)(F)2	C(CCFF)(F)3	116.0365	0.866	2	116.0365	0.750	2	115.8977	0.433	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[5a]FF)(CF3)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)(F)3	C(CC[5a]FF)(CF3)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)(F)3	116.9430	0.055	2	116.9430	0.003	2	116.8300	0.040	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[5a]FF)(CF3)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)(F)3	C(CC[5a]FF)(CF3)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)(F)3	116.6040	0.000	1	116.6040	0.000	1	116.8300	0.040	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6]FF)(CF3)(F)2	C(C[6]C[5a,6]2)(CCFF)(F)2	C(CCFF)(F)3	C(CC[6]FF)(CF3)(F)2	C(C[6]C[5a,6]2)(CCFF)(F)2	C(CCFF)(F)3	115.3310	0.037	2	115.3310	0.001	2	115.3310	0.001	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	C(CCFF)(F)3	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6,6a]N[6a])(CCFF)(F)2	C(CCFF)(F)3	117.4870	0.000	1	117.4870	0.000	1	117.3511	0.647	15	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)(F)3	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)(F)3	118.7900	0.000	1	118.7900	0.000	1	117.3511	0.647	15	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)(F)3	C(CC[6a]FF)(CF3)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)(F)3	117.3035	1.033	2	117.3035	1.067	2	117.3511	0.647	15	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6a]FF)(CF3)(F)2	C(C[6a]N[6a]2)(CCFF)(F)2	C(CCFF)(F)3	C(CC[6a]FF)(CF3)(F)2	C(C[6a]N[6a]2)(CCFF)(F)2	C(CCFF)(F)3	117.2165	0.755	11	117.2165	0.570	11	117.3511	0.647	15	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CC[6a]HH)(CBrHH)(F)2	C(C[6a]C[6a]2)(CCFF)(H)2	C(CCFF)(Br)(H)2	C(CC[6a]HH)(CBrHH)(F)2	C(C[6a]C[6a]2)(CCFF)(H)2	C(CCFF)(Br)(H)2	112.5990	0.000	1	112.5990	0.000	1	112.5990	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(F)(H)	C(CC[6a]O)(CCFH)(H)2	C(CCFH)(H)3	C(CCHH)(CH3)(F)(H)	C(CC[6a]O)(CCFH)(H)2	C(CCFH)(H)3	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(H)2	C(CN[5]O)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	C(CN[5]O)(CCHH)(Br)(H)	C(CCHH)(H)3	111.1260	0.000	1	111.1260	0.000	1	109.5575	4.920	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(H)2	C(CN[6]O)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	C(CN[6]O)(CCHH)(Br)(H)	C(CCHH)(H)3	107.9890	0.000	1	107.9890	0.000	1	109.5575	4.920	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]C[4])(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.0875	0.511	2	113.0875	0.261	2	111.8637	4.624	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(Cl)(H)2	109.4160	0.000	1	109.4160	0.000	1	111.8637	4.624	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)(F)3	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(H)3	112.5555	0.059	2	112.5555	0.003	2	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)(H)3	112.7025	0.327	2	112.7025	0.107	2	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(H)3	111.8058	0.430	4	111.8058	0.185	4	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.6690	0.000	1	112.6690	0.000	1	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(H)3	112.0745	0.538	11	112.0745	0.290	11	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(H)3	113.4670	1.226	7	113.4670	1.503	7	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)(H)3	111.4750	0.253	3	111.4750	0.064	3	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(H)3	113.6691	1.068	7	113.6691	1.141	7	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.0600	0.000	1	112.0600	0.000	1	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	112.3770	0.028	2	112.3770	0.001	2	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]H)(CCHH)(H)2	C(CCHH)(H)3	107.8560	0.000	2	107.8560	0.000	2	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(H)3	112.5195	0.945	14	112.5195	0.893	14	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5]H)(CCHH)(H)2	C(CCHH)(H)3	102.9230	0.000	1	102.9230	0.000	1	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)(H)3	111.4795	0.467	4	111.4795	0.218	4	112.2007	3.148	61	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CCHH)(H)3	113.0810	0.000	1	113.0810	0.000	1	113.2075	0.032	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]P[4])(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]P[4])(CCHH)(H)2	C(CCHH)(H)3	113.3340	0.000	1	113.3340	0.000	1	113.2075	0.032	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(F)3	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(F)3	112.7635	0.605	2	112.7635	0.366	2	112.7635	0.366	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[4,5]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[4,5]C[5])(CCHH)(H)2	C(CCHH)(H)3	113.8275	0.530	2	113.8275	0.281	2	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.7380	0.717	18	112.7380	0.515	18	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.2620	0.000	1	112.2620	0.000	1	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]N[5])(CCHH)(H)2	C(CCHH)(H)3	115.5630	0.000	1	115.5630	0.000	1	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]Se[5])(CCHH)(H)2	C(CCHH)(H)3	111.6010	1.644	4	111.6010	2.704	4	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	114.0648	5.965	22	114.0648	35.579	22	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(H)3	122.5745	14.553	2	122.5745	211.789	2	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	C(CCHH)(H)3	115.1505	2.398	2	115.1505	5.749	2	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(H)3	113.2181	1.531	15	113.2181	2.343	15	113.6465	18.522	67	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	114.7170	0.000	1	114.7170	0.000	1	114.0610	0.861	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CC[5a]HH)(CBrHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	113.4050	0.000	1	113.4050	0.000	1	114.0610	0.861	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[5a]HH)(CClHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[5a]HH)(CClHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(H)3	112.4355	0.104	2	112.4355	0.011	2	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)(H)3	112.9420	0.000	1	112.9420	0.000	1	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(H)3	112.8123	1.042	3	112.8123	1.086	3	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	114.0750	1.481	2	114.0750	2.192	2	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(H)3	112.1783	1.031	12	112.1783	1.063	12	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	113.1311	2.434	15	113.1311	5.927	15	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(H)3	112.6410	0.000	1	112.6410	0.000	1	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(H)3	112.5470	0.000	1	112.5470	0.000	1	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	112.3170	0.000	1	112.3170	0.000	1	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(H)3	114.4075	0.026	2	114.4075	0.001	2	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(H)3	112.9266	1.441	23	112.9266	2.076	23	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5a]HH)(CH3)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)(H)3	111.1640	0.000	1	111.1640	0.000	1	112.8485	2.586	64	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C(CCHH)(H)3	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)(H)3	112.4940	0.362	2	112.4940	0.131	2	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	112.8040	0.000	1	112.8040	0.000	1	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	112.1040	0.354	2	112.1040	0.125	2	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	112.0121	0.719	8	112.0121	0.517	8	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(H)3	111.6115	1.015	23	111.6115	1.030	23	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(H)3	111.6865	0.500	2	111.6865	0.250	2	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	C(CCHH)(H)3	111.5680	0.000	1	111.5680	0.000	1	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	111.1220	0.000	1	111.1220	0.000	1	111.7806	0.785	40	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HH)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[6a]HH)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	116.6070	4.541	3	116.6070	20.623	3	116.6070	20.623	3	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]B[6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	112.5585	0.059	2	112.5585	0.003	2	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	111.8613	0.733	3	111.8613	0.537	3	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)(H)3	112.5900	0.959	2	112.5900	0.919	2	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	112.6256	1.329	7	112.6256	1.766	7	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	110.3110	3.020	4	110.3110	9.120	4	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	112.8380	0.000	1	112.8380	0.000	1	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	110.2590	2.399	3	110.2590	5.757	3	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	111.3853	2.211	18	111.3853	4.887	18	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(H)3	113.0806	2.006	62	113.0806	4.026	62	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(H)3	111.5776	1.122	10	111.5776	1.260	10	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CCHH)(H)3	112.6965	1.268	4	112.6965	1.607	4	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]S[6a])(CCHH)(H)2	C(CCHH)(H)3	111.6050	0.000	1	111.6050	0.000	1	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	111.9460	0.305	3	111.9460	0.093	3	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	115.6825	0.128	2	115.6825	0.016	2	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6a]HH)(CH3)(H)2	C(C[6a]N[6a]2)(CCHH)(H)2	C(CCHH)(H)3	112.1508	0.862	5	112.1508	0.744	5	112.4502	4.043	127	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.8750	0.000	1	113.8750	0.000	1	113.8750	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NB[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NB[5]2)(CCHH)(H)2	C(CCHH)(H)3	110.3830	0.000	1	110.3830	0.000	1	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[3]C)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[3]C)(CCHH)(H)2	C(CCHH)(H)3	110.8701	0.606	11	110.8701	0.367	11	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)(H)3	109.1070	0.209	2	109.1070	0.044	2	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(H)3	112.9550	0.000	1	112.9550	0.000	1	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(H)3	126.2380	0.000	1	126.2380	0.000	1	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(H)3	111.9435	1.344	2	111.9435	1.807	2	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6]S)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6]S)(CCHH)(H)2	C(CCHH)(H)3	112.4420	0.000	1	112.4420	0.000	1	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(H)3	111.9796	0.363	5	111.9796	0.132	5	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(H)3	111.8205	1.631	39	111.8205	2.660	39	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(H)3	112.5977	1.668	27	112.5977	2.782	27	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6a]Mg)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6a]Mg)(CCHH)(H)2	C(CCHH)(H)3	112.5370	0.286	2	112.5370	0.082	2	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(H)2	C(CCHH)(H)3	111.6407	0.522	3	111.6407	0.273	3	112.0497	4.563	95	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	C(CCHH)(H)3	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	C(CCHH)(H)3	112.6050	0.249	2	112.6050	0.062	2	111.8370	0.887	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,6]C[4])(CCHH)(H)2	C(CCHH)(H)3	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,6]C[4])(CCHH)(H)2	C(CCHH)(H)3	111.5610	0.000	1	111.5610	0.000	1	111.8370	0.887	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)(H)3	111.2070	1.198	2	111.2070	1.435	2	111.8370	0.887	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(Br)(H)2	113.4420	0.000	1	113.4420	0.000	1	113.3356	1.334	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(Br)(H)2	113.5643	1.507	3	113.5643	2.270	3	113.3356	1.334	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CN[5]HH)(CBrHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(Br)(H)2	112.5430	0.000	1	112.5430	0.000	1	113.3356	1.334	5	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.6020	0.000	1	113.6020	0.000	1	113.5400	0.008	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CN[5]HH)(CClHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.4780	0.000	1	113.4780	0.000	1	113.5400	0.008	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[3x5]C[5])(CCHH)(H)2	C(CCHH)(H)3	113.7740	0.000	1	113.7740	0.000	1	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CCHH)(H)3	113.2470	0.000	1	113.2470	0.000	1	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.0622	2.236	6	112.0622	5.001	6	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	111.5017	1.576	10	111.5017	2.485	10	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(H)3	113.3050	0.509	2	113.3050	0.259	2	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(H)3	111.7681	1.736	41	111.7681	3.014	41	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	112.2722	4.489	87	112.2722	20.147	87	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(H)3	113.2883	1.251	31	113.2883	1.565	31	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(H)3	111.1050	0.000	1	111.1050	0.000	1	112.3013	11.190	180	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CN[5]HH)(CHHI)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)2(I)	C(CN[5]HH)(CHHI)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(H)2(I)	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5a]HH)(CBrHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CN[5a]HH)(CBrHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(Br)(H)2	113.6825	1.316	2	113.6825	1.732	2	113.6825	1.732	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5a]HH)(CClHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CN[5a]HH)(CClHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	112.8145	1.644	2	112.8145	2.703	2	112.8145	2.703	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)(H)3	111.5116	0.380	5	111.5116	0.145	5	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(H)3	111.9390	0.256	2	111.9390	0.066	2	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	114.7670	0.000	1	114.7670	0.000	1	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(H)3	111.7050	2.249	15	111.7050	5.057	15	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	111.0830	0.000	1	111.0830	0.000	1	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(H)3	111.6207	4.056	15	111.6207	16.447	15	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[5a]HH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(H)3	112.3280	2.476	2	112.3280	6.132	2	111.7519	7.967	41	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6,6]HH)(CH3)(H)2	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6,6]HH)(CH3)(H)2	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CCHH)(H)3	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[6]HH)(CBrHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CN[6]HH)(CBrHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(Br)(H)2	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(Cl)(H)2	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]B[6]C[6])(CCHH)(H)2	C(CCHH)(H)3	111.1180	0.000	1	111.1180	0.000	1	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[5,6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[5,6]2)(CCHH)(H)2	C(CCHH)(H)3	113.0570	0.000	1	113.0570	0.000	1	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	113.0827	1.176	3	113.0827	1.383	3	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(H)3	110.4726	1.834	22	110.4726	3.364	22	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CCHH)(H)3	111.0840	0.000	1	111.0840	0.000	1	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)3	110.3893	3.487	8	110.3893	12.159	8	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CCHH)(H)3	111.9850	1.871	2	111.9850	3.501	2	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	111.7756	2.445	52	111.7756	5.980	52	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(H)3	111.4688	1.339	4	111.4688	1.793	4	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(H)3	111.1860	0.328	2	111.1860	0.108	2	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	112.1850	0.280	2	112.1850	0.078	2	111.3973	5.365	98	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CN[6]HH)(CHHI)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)2(I)	C(CN[6]HH)(CHHI)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(H)2(I)	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)(H)3	113.2660	0.000	1	113.2660	0.000	1	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	110.2910	0.858	3	110.2910	0.737	3	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	109.9790	0.000	1	109.9790	0.000	1	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(H)3	111.3462	1.298	13	111.3462	1.684	13	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(H)3	112.3633	1.477	3	112.3633	2.182	3	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(H)3	110.6717	0.496	7	110.6717	0.246	7	111.1932	1.557	28	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PC[6a]C[3])(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PC[6a]C[3])(CCHH)(H)2	C(CCHH)(H)3	111.7200	0.325	2	111.7200	0.106	2	111.7200	0.106	2	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[5]HH)(CH3)(H)2	C(P[5]P[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CP[5]HH)(CH3)(H)2	C(P[5]P[5]2)(CCHH)(H)2	C(CCHH)(H)3	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SC[6]O)(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SC[6]O)(CCHH)(H)2	C(CCHH)(H)3	114.1540	0.000	1	114.1540	0.000	1	114.1540	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:I-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	C(CCHI)(H)3	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	C(CCHI)(H)3	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:S-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	C(CCHS)(H)3	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	C(CCHS)(H)3	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	112.3914	7.353	872	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]ClH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]ClH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(Cl)(H)	C(CBrCH)(OH)(H)2	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CClCH)(OC)(H)2	C(CC[6a]ClH)(CHHO)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(Cl)(H)	C(CClCH)(OC)(H)2	115.3090	0.430	2	115.3090	0.185	2	115.3090	0.185	2	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(Cl)(H)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C(CClCH)(OH)(H)2	C(CC[6a]HH)(CHHO)(Cl)(H)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	C(CClCH)(OH)(H)2	112.4735	0.207	2	112.4735	0.043	2	112.4735	0.043	2	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CCFH)(OH)(H)2	C(CC[6a]HH)(CHHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CCFH)(OH)(H)2	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CC)(H)2	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(OC)(H)2	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	113.1200	0.000	1	113.1200	0.000	1	112.9488	0.972	5	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	111.7530	0.000	1	111.7530	0.000	1	112.9488	0.972	5	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	112.2890	0.000	1	112.2890	0.000	1	112.9488	0.972	5	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.7910	0.759	2	113.7910	0.577	2	112.9488	0.972	5	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	112.6450	0.000	1	112.6450	0.000	1	113.1650	0.764	3	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CC)(H)2	113.4250	1.059	2	113.4250	1.122	2	113.1650	0.764	3	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.9735	0.951	2	113.9735	0.905	2	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	113.4880	0.000	1	113.4880	0.000	1	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	112.8510	0.619	2	112.8510	0.384	2	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	114.2897	0.544	4	114.2897	0.296	4	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(OC)(H)2	113.0350	0.725	7	113.0350	0.525	7	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	112.1490	0.000	1	112.1490	0.000	1	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5a]HH)(CHHO)(H)2	C(C[5a]N[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	112.6537	1.144	6	112.6537	1.308	6	113.2005	0.965	23	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.7532	3.539	8	113.7532	12.523	8	113.7252	9.752	10	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.8060	0.000	1	113.8060	0.000	1	113.7252	9.752	10	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	113.4200	0.000	1	113.4200	0.000	1	113.7252	9.752	10	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CN)(H)2	111.6790	0.000	1	111.6790	0.000	1	111.8260	1.290	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CN)(H)2	111.8750	1.386	3	111.8750	1.920	3	111.8260	1.290	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	113.8290	0.000	1	113.8290	0.000	1	113.6467	1.121	15	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	114.2670	0.000	1	114.2670	0.000	1	113.6467	1.121	15	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.6579	0.865	9	113.6579	0.749	9	113.6467	1.121	15	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.1723	2.041	3	113.1723	4.167	3	113.6467	1.121	15	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OP)(H)2	C(CC[6a]HH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OP)(H)2	114.1660	0.000	1	114.1660	0.000	1	113.6467	1.121	15	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]O)(CCHH)(H)2	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	C(NC[6]O)(CCHH)(H)2	C(CCHH)(NN)(H)2	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.2815	0.718	2	113.2815	0.515	2	113.0372	0.302	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.0640	0.204	2	113.0640	0.041	2	113.0372	0.302	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.6450	0.000	1	111.6450	0.000	1	113.0372	0.302	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.1788	0.237	6	113.1788	0.056	6	113.0372	0.302	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(SC)(H)2	114.5350	0.000	1	114.5350	0.000	1	112.5709	1.882	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(SC)(H)2	112.2435	1.165	6	112.2435	1.358	6	112.5709	1.882	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CC)(H)2	110.7480	0.000	1	110.7480	0.000	1	111.7187	2.828	21	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CN)(H)2	110.5320	4.254	2	110.5320	18.096	2	111.7187	2.828	21	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH)(H)2	112.8930	0.000	1	112.8930	0.000	1	111.7187	2.828	21	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	111.8463	1.437	17	111.8463	2.065	17	111.7187	2.828	21	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(OC)(H)2	112.1790	2.165	3	112.1790	4.685	3	112.1081	2.793	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	111.5260	0.000	1	111.5260	0.000	1	112.1081	2.793	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.3790	0.000	1	111.3790	0.000	1	112.1081	2.793	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.2912	1.870	6	112.2912	3.495	6	112.1081	2.793	11	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SC)(H)2	112.2030	0.000	1	112.2030	0.000	1	112.3609	1.640	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SH)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SH)(H)2	113.3500	0.000	1	113.3500	0.000	1	112.3609	1.640	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SS)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SS)(H)2	111.9895	2.256	2	111.9895	5.091	2	112.3609	1.640	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SC)(H)2	111.8925	1.521	2	111.8925	2.313	2	112.3609	1.640	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SS)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SS)(H)2	113.2090	0.000	1	113.2090	0.000	1	112.3609	1.640	7	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	112.4040	1.046	3	112.4040	1.094	3	112.4480	0.737	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NN)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NN)(H)2	112.5800	0.000	1	112.5800	0.000	1	112.4480	0.737	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.2970	0.000	1	112.2970	0.000	1	111.4665	1.586	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[5a]HH)(CHHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(OH)(H)2	111.1897	1.385	3	111.1897	1.919	3	111.4665	1.586	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(SC)(H)2	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	111.1558	2.766	5	111.1558	7.651	5	111.1558	7.651	5	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	113.1200	1.085	3	113.1200	1.176	3	112.8337	1.112	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NH)(H)2	111.9750	0.000	1	111.9750	0.000	1	112.8337	1.112	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CCHH)(OH)(H)2	112.2050	0.000	1	112.2050	0.000	1	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	113.9910	0.000	1	113.9910	0.000	1	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(OC)(H)2	112.4980	0.000	1	112.4980	0.000	1	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.6243	2.110	3	113.6243	4.454	3	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	112.5720	0.000	1	112.5720	0.000	1	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	111.9475	0.161	2	111.9475	0.026	2	112.8927	1.783	9	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC)(H)2	115.0920	0.000	1	115.0920	0.000	1	113.8130	3.272	2	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CN)(H)2	112.5340	0.000	1	112.5340	0.000	1	113.8130	3.272	2	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OC)(H)2	109.5680	0.000	1	109.5680	0.000	1	111.3407	2.052	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(OH)(H)2	110.9840	0.000	1	110.9840	0.000	1	111.3407	2.052	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.4055	0.787	2	112.4055	0.619	2	111.3407	2.052	4	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(NC)(H)2	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	C(CCHH)(OMo)(H)2	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	C(CCHH)(OMo)(H)2	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:H-1:I-1:	N[4]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	C(CCHI)(OC)(H)2	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	C(CCHI)(OC)(H)2	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	112.7089	2.666	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)(CCF)(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)(CCF)(F)2	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CCFH)(NHS)(H)2	C(CC[6a]HH)(CHHN)(F)(H)	C(C[6a]C[6a]2)(CCFH)(H)2	C(CCFH)(NHS)(H)2	113.6040	0.000	1	113.6040	0.000	1	113.6040	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.2190	0.000	1	114.2190	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.0920	0.000	1	114.0920	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(COO)(H)2	111.7565	0.691	2	111.7565	0.477	2	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	C(CCHH)(CHH)(H)2	115.3400	0.000	1	115.3400	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CCN)(H)2	111.9050	0.000	1	111.9050	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CNO)(H)2	114.0615	0.244	2	114.0615	0.060	2	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.3700	0.000	1	112.3700	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.6370	0.000	1	113.6370	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	111.8740	0.000	1	111.8740	0.000	1	113.1885	1.692	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	110.7070	0.000	1	110.7070	0.000	1	111.0912	4.532	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.9005	0.910	2	112.9005	0.828	2	111.0912	4.532	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.7880	0.000	1	112.7880	0.000	1	111.0912	4.532	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(NCH)(H)2	108.6255	0.313	2	108.6255	0.098	2	111.0912	4.532	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	111.2525	0.056	2	111.2525	0.003	2	111.2525	0.003	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	111.6920	0.000	1	111.6920	0.000	1	112.4960	0.294	4	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	112.8280	0.000	1	112.8280	0.000	1	112.4960	0.294	4	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.8130	0.000	1	112.8130	0.000	1	112.4960	0.294	4	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CCO)(H)2	112.6510	0.000	1	112.6510	0.000	1	112.4960	0.294	4	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	115.5715	0.585	2	115.5715	0.342	2	114.1281	3.231	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.0010	0.375	2	113.0010	0.140	2	114.1281	3.231	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.5110	0.441	2	112.5110	0.195	2	114.1281	3.231	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCS)(H)2	116.7300	0.000	1	116.7300	0.000	1	114.1281	3.231	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCO)(H)2	116.3030	0.000	1	116.3030	0.000	1	114.2705	8.262	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.2380	0.000	1	112.2380	0.000	1	114.2705	8.262	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	111.6180	0.000	1	111.6180	0.000	1	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CCC)(H)2	112.3220	0.000	1	112.3220	0.000	1	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CCH)(H)2	110.8650	0.000	1	110.8650	0.000	1	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	112.7240	0.000	1	112.7240	0.000	1	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	111.9582	0.332	5	111.9582	0.110	5	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.6610	2.928	3	114.6610	8.575	3	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCO)(H)2	113.0160	1.629	2	113.0160	2.654	2	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	113.7673	2.415	9	113.7673	5.832	9	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.4903	1.054	8	112.4903	1.111	8	112.9407	3.422	31	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.7873	1.383	7	112.7873	1.912	7	112.7873	1.912	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:I-1:I-1:	C(CC[6a]HH)(CIIN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NOO)(I)2	C(CC[6a]HH)(CIIN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NOO)(I)2	113.9520	0.000	1	113.9520	0.000	1	113.9520	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	109.9940	0.000	1	109.9940	0.000	1	111.4178	3.781	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	110.1330	0.000	1	110.1330	0.000	1	111.4178	3.781	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.3870	0.000	1	114.3870	0.000	1	111.4178	3.781	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(COO)(H)2	110.3030	0.219	2	110.3030	0.048	2	111.4178	3.781	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(COO)(H)2	113.3870	0.000	1	113.3870	0.000	1	111.4178	3.781	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[3]C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NC[3]C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	115.1760	0.000	1	115.1760	0.000	1	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(NCH)(H)2	113.3700	0.000	1	113.3700	0.000	1	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	115.8320	0.000	1	115.8320	0.000	1	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	111.3575	0.820	2	111.3575	0.672	2	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(NHS)(H)2	113.3990	0.000	1	113.3990	0.000	1	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.9687	1.941	6	114.9687	3.766	6	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NCH)(H)2	114.8180	0.600	2	114.8180	0.360	2	114.2814	3.476	14	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C(CN[5]HH)(CBrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	C(CN[5]HH)(CBrCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(COO)(H)2	111.4310	0.000	1	111.4310	0.000	1	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)(COO)(H)2	111.3590	0.000	1	111.3590	0.000	1	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	111.7777	2.937	4	111.7777	8.627	4	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CNN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CNN)(H)2	114.5760	0.000	1	114.5760	0.000	1	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	113.7335	0.883	2	113.7335	0.780	2	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	111.6353	1.325	9	111.6353	1.756	9	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(COO)(H)2	110.3255	1.466	6	110.3255	2.150	6	111.6090	3.452	24	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.2783	2.044	18	112.2783	4.177	18	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	114.0443	0.472	4	114.0443	0.223	4	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	113.9410	0.000	1	113.9410	0.000	1	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	112.3130	0.000	2	112.3130	0.000	2	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	109.8570	0.000	1	109.8570	0.000	1	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(NCC)(H)2	110.5040	0.000	1	110.5040	0.000	1	112.4487	3.660	27	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OGa2)(H)2	C(CN[5]HH)(CHHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(OGa2)(H)2	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SPdC)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SPdC)(H)2	115.1550	0.000	1	115.1550	0.000	1	114.5633	0.961	3	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SPtC)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SPtC)(H)2	114.2675	1.182	2	114.2675	1.396	2	114.5633	0.961	3	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CCO)(H)2	112.6165	0.805	2	112.6165	0.649	2	113.7292	1.491	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CNO)(H)2	114.1273	1.181	3	114.1273	1.396	3	113.7292	1.491	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(COO)(H)2	114.7600	0.000	1	114.7600	0.000	1	113.7292	1.491	6	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.2505	0.148	2	112.2505	0.022	2	113.0601	2.849	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	111.6120	0.000	2	111.6120	0.000	2	113.0601	2.849	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NHgC)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NHgC)(H)2	112.7840	0.000	1	112.7840	0.000	1	113.0601	2.849	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	115.5170	0.000	1	115.5170	0.000	1	113.0601	2.849	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NReC)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NReC)(H)2	115.3950	0.000	1	115.3950	0.000	1	113.0601	2.849	7	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(SPtC)(H)2	C(CN[5a]HH)(CHHS)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(SPtC)(H)2	116.3520	0.000	1	116.3520	0.000	1	116.3520	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCC)(H)2	113.9640	0.000	1	113.9640	0.000	1	112.4670	5.048	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHH)(H)2	112.0465	3.116	2	112.0465	9.711	2	112.4670	5.048	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CNO)(H)2	116.0240	0.000	1	116.0240	0.000	1	112.4670	5.048	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(COO)(H)2	111.9500	2.130	6	111.9500	4.537	6	112.4670	5.048	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	111.3560	0.000	1	111.3560	0.000	1	112.4670	5.048	11	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.9480	0.511	2	112.9480	0.261	2	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(NHS)(H)2	115.5510	0.000	1	115.5510	0.000	1	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	115.1320	0.000	1	115.1320	0.000	1	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.4125	0.484	2	114.4125	0.235	2	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCH)(H)2	113.5899	2.652	11	113.5899	7.034	11	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NHH)(H)2	111.0890	0.000	1	111.0890	0.000	1	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	108.3410	1.259	2	108.3410	1.584	2	113.1332	7.263	20	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6a]HH)(CHHN)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CN[6a]HH)(CHHN)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.3850	3.454	2	113.3850	11.927	2	113.3850	11.927	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(SC[5]Cu)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	C(CHHS)2(H)2	C(SC[5]Cu)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	116.2790	2.544	3	116.2790	6.472	3	116.2790	6.472	3	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(CCHH)(NPdC)(H)2	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(CCHH)(NPdC)(H)2	115.4070	0.000	1	115.4070	0.000	1	114.5780	1.374	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pt)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pt)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	113.7490	0.000	1	113.7490	0.000	1	114.5780	1.374	2	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	C(CCHH)(OMo2)(H)2	C(CSeHH)(CHHO)(H)2	C(SeMoC)(CCHH)(H)2	C(CCHH)(OMo2)(H)2	114.9140	0.000	1	114.9140	0.000	1	114.9140	0.000	1	112.9128	4.345	203	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CCO)(OH)(H)	113.3590	0.298	2	113.3590	0.089	2	113.3590	0.089	2	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(NN)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(NN)(H)	114.3770	0.000	1	114.3770	0.000	1	114.3770	0.000	1	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:C-2:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCC)(CN)(H)	113.2080	0.263	2	113.2080	0.069	2	113.2080	0.069	2	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:O-2:H-1:	C(CC[6a]HH)(CHNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCO)(OH)(H)	C(CC[6a]HH)(CHNO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCO)(OH)(H)	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(OH)(H)	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(OH)(H)	111.2645	0.339	2	111.2645	0.115	2	113.0923	4.649	4	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(OMn)(H)	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(COO)(OMn)(H)	114.9200	0.684	2	114.9200	0.469	2	113.0923	4.649	4	113.3014	1.721	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:2:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-2:O-2:	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(CN)(OC)	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[5]HH)(CCHN)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	C(CC[5]HH)(CCHN)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)2(H)	114.8580	0.000	1	114.8580	0.000	1	114.8580	0.000	1	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCC)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCC)(NCH)(H)	112.8677	0.345	3	112.8677	0.119	3	113.3300	0.649	9	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CNO)(NCH)(H)	112.6840	0.358	2	112.6840	0.128	2	113.3300	0.649	9	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	113.9998	0.719	4	113.9998	0.517	4	113.3300	0.649	9	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:Cl-1:H-1:	C-4:C-3:C-3:Cl-1:	C(CN[5]ClH)(CClCC)(H)2	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CCHH)(COO)2(Cl)	C(CN[5]ClH)(CClCC)(H)2	C(N[5]C[5]2)(CCHH)(Cl)(H)	C(CCHH)(COO)2(Cl)	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(COO)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(COO)2(H)	115.3140	0.000	1	115.3140	0.000	1	115.3140	0.000	1	113.7151	0.914	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(COO)(CN)	C(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(COO)(CN)	113.4690	1.076	3	113.4690	1.158	3	113.4690	1.158	3	113.4690	1.158	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:3:3:3:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C(CN[5a]HH)(CN3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NOO)3	C(CN[5a]HH)(CN3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NOO)3	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-3:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(Cl)(H)	C(CC[6a]O)(CClCH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(Cl)(H)	C(CC[6a]O)(CClCH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	116.3240	0.000	1	116.3240	0.000	1	116.3240	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(Cl)(H)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C(CClCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	C(C[5a]C[5a]N[5a])(CClCH)(H)2	C(CClCH)(CCHH)(H)2	115.1840	0.000	1	115.1840	0.000	1	115.1840	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[5a]C)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CC[5a]C)(CCFF)(F)2	C(CCFF)(CF3)(F)2	115.0885	0.484	2	115.0885	0.235	2	115.0885	0.235	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5]FF)(CCFF)(F)2	C(C[5]N[5]2)(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(C[5]N[5]2)(CCFF)(F)2	C(CCFF)2(F)2	115.8500	0.000	1	115.8500	0.000	1	115.4260	0.360	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5]FF)(CCFF)(F)2	C(C[5]N[5]S[5])(CCFF)(F)2	C(CC[5]FF)(CCFF)(F)2	C(CC[5]FF)(CCFF)(F)2	C(C[5]N[5]S[5])(CCFF)(F)2	C(CC[5]FF)(CCFF)(F)2	115.0020	0.000	1	115.0020	0.000	1	115.4260	0.360	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	118.5060	1.451	2	118.5060	2.105	2	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]C[5a])(CCFF)(F)2	C(CCFF)2(F)2	118.6000	0.000	1	118.6000	0.000	1	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	117.3950	0.000	1	117.3950	0.000	1	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a,6a]N[5a])(CCFF)(F)2	C(CCFF)2(F)2	116.1530	0.000	1	116.1530	0.000	1	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a]2)(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]C[5a]2)(CCFF)(F)2	C(CCFF)2(F)2	115.2653	0.281	4	115.2653	0.079	4	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(C[5a]N[5a]2)(CCFF)(F)2	C(CCFF)2(F)2	115.6000	0.000	1	115.6000	0.000	1	116.5821	2.507	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6,6a])(CCFF)(F)2	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6,6a])(CCFF)(F)2	C(CCFF)2(F)2	116.4060	0.000	1	116.4060	0.000	1	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)(CF3)(F)2	116.3013	0.944	4	116.3013	0.891	4	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a,6a]C[6a])(CCFF)(F)2	C(CCFF)2(F)2	116.5970	0.000	1	116.5970	0.000	1	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CBrFF)(CCFF)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CBrFF)(CCFF)(F)2	116.4990	0.163	2	116.4990	0.026	2	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)(CF3)(F)2	116.0788	1.111	6	116.0788	1.235	6	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(F)2	C(CCFF)2(F)2	116.6009	1.399	15	116.6009	1.957	15	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]N[6a])(CCFF)(F)2	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(C[6a]C[6a]N[6a])(CCFF)(F)2	C(CCFF)2(F)2	116.4310	0.000	1	116.4310	0.000	1	116.4375	1.295	30	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[6a]HH)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(H)2	C(CCFF)2(F)2	C(CC[6a]HH)(CCFF)(F)2	C(C[6a]C[6a]2)(CCFF)(H)2	C(CCFF)2(F)2	113.6995	0.829	2	113.6995	0.688	2	113.6995	0.688	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CN[6]HH)(CCFF)(F)2	C(N[6]C[6]2)(CCFF)(H)2	C(CCFF)(CF3)(F)2	C(CN[6]HH)(CCFF)(F)2	C(N[6]C[6]2)(CCFF)(H)2	C(CCFF)(CF3)(F)2	112.8113	0.778	3	112.8113	0.606	3	113.2932	2.400	6	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CN[6]HH)(CCFF)(F)2	C(N[6]C[6]2)(CCFF)(H)2	C(CCFF)2(F)2	C(CN[6]HH)(CCFF)(F)2	C(N[6]C[6]2)(CCFF)(H)2	C(CCFF)2(F)2	113.7750	2.167	3	113.7750	4.697	3	113.2932	2.400	6	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CN[6a]HH)(CCFF)(F)2	C(N[6a]C[6a]2)(CCFF)(H)2	C(CCFF)(CF3)(F)2	C(CN[6a]HH)(CCFF)(F)2	C(N[6a]C[6a]2)(CCFF)(H)2	C(CCFF)(CF3)(F)2	113.3148	1.265	5	113.3148	1.601	5	113.3148	1.601	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C(CC[6a]FH)(CCFH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(F)(H)	C(CN[5]HH)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	C(C[6a]C[6a]2)(CCFH)(F)(H)	C(CN[5]HH)(CCFH)(F)(H)	113.3773	0.499	3	113.3773	0.249	3	113.3773	0.249	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	As-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CB[5]HH)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CB[5]HH)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CB[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CB[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4090	0.000	1	113.4090	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CB[6a]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CB[6a]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	113.3560	0.000	1	113.3560	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4175	1.258	2	113.4175	1.582	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[3]O)(CCHH)(H)2	C(CCHH)2(H)2	117.8960	0.000	1	117.8960	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1980	0.000	1	113.1980	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3x6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3x6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4370	0.000	1	112.4370	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]Cl)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[4]Cl)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.7270	0.000	1	114.7270	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[4]H)(CCHH)(H)2	C(CCHH)2(H)2	114.1420	0.000	1	114.1420	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6730	0.000	1	113.6730	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	113.4142	1.512	4	113.4142	2.286	4	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.8080	0.000	1	114.8080	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.0157	0.419	3	113.0157	0.175	3	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7190	0.000	1	112.7190	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]N)(CCHH)(H)2	C(CCHH)2(H)2	113.3860	2.755	2	113.3860	7.589	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.0515	1.529	2	112.0515	2.339	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	116.3280	0.000	1	116.3280	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	114.5041	1.181	14	114.5041	1.394	14	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]Si)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]Si)(CCHH)(H)2	C(CCHH)2(H)2	112.2200	0.000	1	112.2200	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2395	0.425	2	113.2395	0.181	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	114.0170	0.000	1	114.0170	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1140	0.000	1	114.1140	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	112.7580	0.776	2	112.7580	0.603	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]C[5])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	115.3740	1.611	2	115.3740	2.595	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]N)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]N)(CCHH)(H)2	C(CCHH)2(H)2	114.2430	0.000	1	114.2430	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	113.6968	2.227	14	113.6968	4.960	14	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	115.5190	0.000	1	115.5190	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8480	0.000	1	113.8480	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	118.1360	0.997	2	118.1360	0.994	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]I)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]I)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1015	0.159	2	113.1015	0.025	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]N)(CCHH)(H)2	C(CCHH)2(H)2	117.3365	1.854	4	117.3365	3.437	4	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	113.2540	2.082	6	113.2540	4.335	6	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9968	1.131	8	112.9968	1.279	8	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	113.0035	2.161	4	113.0035	4.669	4	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	116.0080	0.000	1	116.0080	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8280	0.000	1	112.8280	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9340	0.315	2	113.9340	0.099	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	112.5586	1.626	28	112.5586	2.643	28	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	111.8640	0.000	1	111.8640	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]C)(CCHH)(H)2	C(CCHH)2(H)2	125.5235	1.422	2	125.5235	2.022	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]H)(CCHH)(H)2	C(CCHH)2(H)2	116.1000	0.000	1	116.1000	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	112.6090	0.909	2	112.6090	0.827	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]Rh)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]Rh)(CCHH)(H)2	C(CCHH)2(H)2	111.8040	0.000	1	111.8040	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[5a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5270	0.000	1	112.5270	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	112.7555	0.141	2	112.7555	0.020	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6]C)(CCHH)(H)2	C(CCHH)2(H)2	114.3403	0.473	3	114.3403	0.223	3	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)(CF3)(H)2	111.5070	0.000	1	111.5070	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)2(H)2	117.9095	0.400	2	117.9095	0.160	2	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1640	0.000	1	114.1640	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	112.1950	0.000	1	112.1950	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CS[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CS[6]C)(CCHH)(H)2	C(CCHH)2(H)2	120.8990	0.000	1	120.8990	0.000	1	113.8722	5.916	141	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(SNOO)(H)2	C(CCHH)(CHHS)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(SNOO)(H)2	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2)(CCHH)(H)2	C(CCHH)2(H)2	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]N[4]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]N[4]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5510	3.135	2	113.5510	9.830	2	113.5510	9.830	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	115.9080	0.359	2	115.9080	0.129	2	115.9080	0.129	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	113.9523	0.326	3	113.9523	0.106	3	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.3075	0.664	2	114.3075	0.441	2	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.5950	0.000	1	114.5950	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9150	0.000	1	112.9150	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5,6])(CCHH)(H)2	C(CCHH)2(H)2	113.3547	3.373	4	113.3547	11.379	4	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3830	1.805	2	113.3830	3.256	2	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	116.0760	0.000	1	116.0760	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	114.5510	0.000	1	114.5510	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.6888	9.860	12	115.6888	97.216	12	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	115.0414	0.982	5	115.0414	0.964	5	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0992	1.304	23	112.0992	1.701	23	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5])(CCHH)(H)2	C(CCHH)2(H)2	115.3721	1.373	15	115.3721	1.884	15	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0155	0.800	2	112.0155	0.640	2	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.9880	0.000	1	110.9880	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.8600	0.000	1	110.8600	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	113.5512	1.016	6	113.5512	1.032	6	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8340	0.000	1	112.8340	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.4140	0.000	1	112.4140	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CCHH)2(H)2	113.0569	1.443	24	113.0569	2.084	24	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	112.4476	1.751	14	112.4476	3.067	14	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	111.8170	0.000	1	111.8170	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(CCHH)2(H)2	114.5338	2.152	6	114.5338	4.631	6	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	113.7450	1.505	2	113.7450	2.264	2	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CCHH)2(H)2	114.5612	1.783	6	114.5612	3.180	6	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]Se[5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.6995	0.018	2	114.6995	0.000	2	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]Si[5]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]Si[5]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1940	0.000	1	113.1940	0.000	1	113.6063	11.281	138	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(NCHH)(H)2	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5,5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	114.1080	0.018	2	114.1080	0.000	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,5a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	111.6437	2.502	3	111.6437	6.260	3	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7120	0.000	1	113.7120	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	114.9470	0.000	1	114.9470	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	115.5448	1.316	22	115.5448	1.731	22	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	114.7240	0.000	1	114.7240	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7140	0.000	1	113.7140	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a,6a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	109.1420	0.851	2	109.1420	0.725	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0924	1.478	40	113.0924	2.185	40	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.9700	0.174	2	111.9700	0.030	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.4855	1.723	79	113.4855	2.967	79	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0559	0.363	12	113.0559	0.132	12	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	115.1590	0.000	1	115.1590	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	115.2408	4.041	36	115.2408	16.327	36	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	114.6477	2.062	3	114.6477	4.252	3	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCCH)(CCHH)(H)2	114.3420	0.000	1	114.3420	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7780	0.840	2	113.7780	0.706	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)2(H)2	115.9907	0.418	3	115.9907	0.175	3	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	111.8730	0.000	1	111.8730	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4725	1.272	42	113.4725	1.618	42	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	113.1837	1.442	52	113.1837	2.081	52	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	111.9920	0.000	1	111.9920	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4310	0.000	1	113.4310	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0895	0.291	2	112.0895	0.084	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	111.6650	0.000	1	111.6650	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6338	0.984	8	113.6338	0.968	8	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	111.9743	1.568	3	111.9743	2.459	3	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.2887	1.945	6	112.2887	3.784	6	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	113.8390	0.000	1	113.8390	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	112.1515	0.736	2	112.1515	0.542	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	121.5360	0.000	1	121.5360	0.000	1	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(C[5a]N[5a]S[5a])(CCHH)(H)2	C(CCHH)2(H)2	110.2520	2.164	2	110.2520	4.682	2	113.6455	4.690	335	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CC[5a]HH)(CHHN)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NCHH)(H)2	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	112.9370	0.000	1	112.9370	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.0370	0.000	1	115.0370	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5240	0.000	1	112.5240	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]2)(CCHH)(H)2	C(CCHH)2(H)2	112.6950	0.000	1	112.6950	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6420	0.000	1	112.6420	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.5230	0.000	1	112.5230	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	113.4747	2.783	3	113.4747	7.743	3	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	112.7440	0.000	1	112.7440	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.7690	0.000	1	114.7690	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9630	0.000	1	111.9630	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8067	1.152	9	113.8067	1.328	9	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	114.9571	1.724	79	114.9571	2.972	79	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	115.2100	0.000	1	115.2100	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1404	2.646	13	114.1404	7.000	13	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	114.2632	2.527	18	114.2632	6.387	18	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7945	0.561	2	112.7945	0.314	2	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.6160	0.638	2	113.6160	0.407	2	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]P[6])(CCHH)(H)2	C(CCHH)2(H)2	113.0025	0.675	2	113.0025	0.456	2	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2320	0.000	1	112.2320	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	115.1800	0.000	1	115.1800	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C(CCHH)2(H)2	114.1110	0.000	1	114.1110	0.000	1	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(H)2	C(CCHH)2(H)2	116.0189	4.754	42	116.0189	22.597	42	114.8254	8.392	183	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CC[6]HH)(CSiHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CC[6]HH)(CSiHH)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(CCHH)(SiC3)(H)2	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	114.4880	0.000	1	114.4880	0.000	1	114.4880	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CC[6]HH)(CHHP)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CC[6]HH)(CHHP)(H)2	C(C[6]C[6]N[6])(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]BrH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CCHH)(H)2	C(CC[6a]BrH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(Br)(H)	C(CC[6a]BrH)(CCHH)(H)2	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CC[6a]FF)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]FF)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	116.8920	0.664	3	116.8920	0.441	3	116.8920	0.441	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C(CC[6a]HH)(CBHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	C(CC[6a]HH)(CBHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	114.0200	0.000	1	114.0200	0.000	1	114.0200	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5713	1.508	8	113.5713	2.275	8	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.9240	0.000	1	114.9240	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	110.7290	0.000	1	110.7290	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	112.9290	0.000	1	112.9290	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1110	0.947	3	112.1110	0.898	3	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.0410	0.000	1	114.0410	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.3264	0.989	5	113.3264	0.979	5	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C(CCHH)2(H)2	113.1795	0.750	2	113.1795	0.563	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0804	1.313	10	113.0804	1.725	10	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	113.5364	1.247	37	113.5364	1.556	37	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	116.0775	1.843	2	116.0775	3.398	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	114.3900	0.427	2	114.3900	0.182	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9965	0.195	4	111.9965	0.038	4	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	112.1560	0.000	1	112.1560	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	112.9150	0.828	5	112.9150	0.685	5	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6,6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.9950	0.000	1	110.9950	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5952	0.659	5	112.5952	0.434	5	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.1420	1.289	3	113.1420	1.660	3	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	111.6000	0.000	1	111.6000	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9085	0.528	2	112.9085	0.279	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CCHH)2(H)2	112.1755	0.907	2	112.1755	0.823	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	110.7400	0.000	1	110.7400	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0124	0.967	14	113.0124	0.935	14	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.8695	0.097	2	111.8695	0.009	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.0765	0.579	2	112.0765	0.335	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	113.6141	1.467	23	113.6141	2.151	23	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6514	1.100	5	112.6514	1.209	5	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	114.3808	0.550	5	114.3808	0.302	5	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	114.3240	0.000	1	114.3240	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	110.6860	0.000	1	110.6860	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	114.7825	0.466	2	114.7825	0.217	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC3)(H)2	115.4735	0.705	2	115.4735	0.497	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	113.3560	0.000	2	113.3560	0.000	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	114.8350	0.703	2	114.8350	0.494	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	114.8245	0.105	2	114.8245	0.011	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCOO)(H)2	114.4620	0.000	1	114.4620	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CF3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CF3)(H)2	112.9180	0.000	1	112.9180	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.8939	5.653	94	114.8939	31.951	94	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.2056	2.493	10	112.2056	6.216	10	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.1255	0.067	2	112.1255	0.005	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	113.5870	0.662	2	113.5870	0.438	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.6418	1.690	226	113.6418	2.857	226	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	110.0840	0.000	1	110.0840	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	116.6000	0.000	1	116.6000	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	114.8470	0.000	1	114.8470	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	113.7903	0.932	4	113.7903	0.868	4	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	112.1240	0.728	2	112.1240	0.530	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HN)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HN)(CCHH)(H)2	111.7150	0.000	1	111.7150	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	116.3575	0.330	2	116.3575	0.109	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	113.5080	0.000	1	113.5080	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	111.5720	0.000	1	111.5720	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	112.5580	0.000	1	112.5580	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]FF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]FF)(CCHH)(H)2	115.5753	1.401	3	115.5753	1.962	3	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	112.3702	0.633	12	112.3702	0.400	12	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	114.2818	0.477	6	114.2818	0.227	6	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	114.6150	0.000	1	114.6150	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	114.4060	0.000	1	114.4060	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(COsHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(COsHH)(CCHH)(H)2	111.6930	0.690	2	111.6930	0.476	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CPtCH)(CCHH)(H)2	114.6995	0.484	2	114.6995	0.235	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.9562	2.956	4	114.9562	8.738	4	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.1320	0.000	1	114.1320	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	115.0995	1.804	31	115.0995	3.253	31	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	113.3320	0.000	1	113.3320	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]O[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0350	0.310	2	113.0350	0.096	2	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	114.8550	0.000	1	114.8550	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2750	0.882	3	113.2750	0.778	3	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	112.4700	0.000	1	112.4700	0.000	1	113.7939	7.641	583	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(NCCH)(H)2	109.8535	0.708	2	109.8535	0.501	2	110.4472	1.521	14	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NC3)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NC3)(H)2	108.5425	0.523	2	108.5425	0.273	2	110.4472	1.521	14	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	110.9469	0.974	10	110.9469	0.949	10	110.4472	1.521	14	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	114.4370	0.000	1	114.4370	0.000	1	114.4370	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	115.0040	0.000	1	115.0040	0.000	1	112.5635	2.716	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	111.8455	0.390	2	111.8455	0.152	2	112.5635	2.716	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(C[6]C[6]2Cr)(CCHH)(H)2	111.5590	0.000	1	111.5590	0.000	1	112.5635	2.716	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NCrCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NCrCC)(CCHH)(H)2	110.0050	0.000	1	110.0050	0.000	1	111.3127	5.998	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NNiCC)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NNiCC)(CCHH)(H)2	109.7950	0.000	1	109.7950	0.000	1	111.3127	5.998	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	C(CC[6a]HH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	114.1380	0.000	1	114.1380	0.000	1	111.3127	5.998	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	110.3845	0.049	2	110.3845	0.002	2	110.3845	0.002	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C(CC[6a]HH)(CP[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(P[4]C[4]2B)(CCHH)(H)2	C(CC[6a]HH)(CP[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(P[4]C[4]2B)(CCHH)(H)2	111.3385	0.972	2	111.3385	0.945	2	111.3385	0.945	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CC[6a]HH)(CSiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	C(CC[6a]HH)(CSiHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C-4:C-4:F-1:H-1:	C(CC[6a]HO)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CCHH)(CH3)(F)(H)	C(CC[6a]HO)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)(O)	C(CCHH)(CH3)(F)(H)	114.6763	1.464	3	114.6763	2.142	3	114.6763	2.142	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[3]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.6510	0.000	1	114.6510	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[3]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6325	0.209	2	112.6325	0.044	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[4]C)(CCHH)(H)2	C(CCHH)2(H)2	111.6530	2.162	2	111.6530	4.676	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	113.6380	0.000	1	113.6380	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.3950	0.000	1	111.3950	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[4a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	115.0320	0.107	2	115.0320	0.012	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	113.7540	0.000	1	113.7540	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2390	0.310	2	113.2390	0.096	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.5485	1.092	4	112.5485	1.193	4	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.0220	2.033	4	113.0220	4.134	4	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.5110	0.000	1	110.5110	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.7245	1.430	8	111.7245	2.046	8	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	113.3522	1.746	8	113.3522	3.050	8	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2662	1.013	4	113.2662	1.026	4	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CCHH)2(H)2	111.7673	1.327	4	111.7673	1.762	4	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3875	1.211	2	113.3875	1.467	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6,6]C)(CCHH)(H)2	C(CCHH)2(H)2	115.2055	0.503	2	115.2055	0.253	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2265	0.241	2	113.2265	0.058	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.2988	1.332	11	111.2988	1.775	11	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7325	1.398	11	112.7325	1.953	11	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.2140	0.000	1	113.2140	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)2(H)2	112.4046	1.866	10	112.4046	3.482	10	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]Hf)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]Hf)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.3220	0.000	1	111.3220	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3465	0.139	2	112.3465	0.019	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	111.6290	0.000	1	111.6290	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	114.5365	0.197	2	114.5365	0.039	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4053	2.387	35	113.4053	5.700	35	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.9605	1.401	45	111.9605	1.962	45	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	115.6730	0.000	1	115.6730	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	113.9846	1.653	37	113.9846	2.734	37	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	111.7680	0.000	1	111.7680	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5147	3.624	32	113.5147	13.135	32	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.7540	1.044	4	112.7540	1.089	4	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.2443	0.738	3	112.2443	0.544	3	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)2(H)2	113.5083	1.464	26	113.5083	2.144	26	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.7140	0.000	1	111.7140	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.5765	5.238	2	116.5765	27.432	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NP[5]C)(CCHH)(H)2	C(CCHH)2(H)2	113.2205	0.944	2	113.2205	0.891	2	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NP[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	115.0982	0.646	5	115.0982	0.417	5	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	115.8510	0.000	1	115.8510	0.000	1	113.0541	4.522	285	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	113.8417	2.561	3	113.8417	6.561	3	113.4632	2.581	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	113.3010	1.258	7	113.3010	1.583	7	113.4632	2.581	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CSiHH)(CHHN)(H)2	C(NP[6]H)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]Pt)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]Pt)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	114.6790	0.000	1	114.6790	0.000	1	114.6790	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	C(CSiHH)(CHHN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	111.9940	0.000	1	111.9940	0.000	1	111.9940	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	115.6120	0.000	1	115.6120	0.000	1	112.9183	8.515	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	C(CCHH)2(H)2	115.2730	0.000	1	115.2730	0.000	1	112.9183	8.515	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[4]HH)(CCHH)(H)2	C(N[4]P[4,6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	C(N[4]P[4,6]2)(CCHH)(H)2	C(CCHH)2(H)2	110.3940	0.000	2	110.3940	0.000	2	112.9183	8.515	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CN[5]HH)(CCFF)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CN[5]HH)(CCFF)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	113.0310	0.000	1	113.0310	0.000	1	113.0310	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]B[5]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]B[5]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0300	0.000	1	111.0300	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	113.5312	0.922	4	113.5312	0.851	4	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	114.5329	1.388	8	114.5329	1.925	8	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,5a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	111.1230	0.700	4	111.1230	0.490	4	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5025	1.901	33	112.5025	3.613	33	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CCHH)2(H)2	116.3500	0.000	1	116.3500	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.0345	0.002	2	117.0345	0.000	2	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9280	0.000	1	111.9280	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3389	1.684	118	112.3389	2.835	118	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	112.1420	0.000	1	112.1420	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	112.7208	1.783	89	112.7208	3.180	89	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	113.1084	2.205	11	113.1084	4.864	11	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6a]Ge[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	111.5440	0.000	1	111.5440	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	111.1680	0.000	1	111.1680	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	110.1380	0.000	1	110.1380	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	115.1610	0.000	1	115.1610	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	112.8200	0.000	1	112.8200	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9150	3.183	328	112.9150	10.130	328	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	114.1305	1.152	4	114.1305	1.328	4	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.3597	2.376	3	113.3597	5.644	3	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	114.5350	0.000	1	114.5350	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	112.8915	3.504	187	112.8915	12.278	187	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.8620	0.059	2	114.8620	0.004	2	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	113.8572	0.582	6	113.8572	0.338	6	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	112.7571	2.114	84	112.7571	4.471	84	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	115.2056	3.544	5	115.2056	12.560	5	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	112.8790	2.622	2	112.8790	6.875	2	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	113.5050	0.000	1	113.5050	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3925	2.252	33	112.3925	5.070	33	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	116.2650	0.000	1	116.2650	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)2(H)2	114.3647	4.114	27	114.3647	16.928	27	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	110.9510	0.000	1	110.9510	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	115.8975	0.449	2	115.8975	0.202	2	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]P[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	111.2070	0.000	1	111.2070	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.5920	0.000	1	115.5920	0.000	1	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.2665	4.007	2	111.2665	16.057	2	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]S[5])(CCHH)(H)2	C(CCHH)2(H)2	111.8910	1.449	4	111.8910	2.099	4	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]Ga[5,5]C[5])(CCHH)(H)2	C(CCHH)2(H)2	113.8037	1.212	3	113.8037	1.469	3	112.8668	7.984	976	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.9659	2.137	7	111.9659	4.567	7	111.7933	4.153	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(NC3)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(NC3)(H)2	110.5850	0.000	1	110.5850	0.000	1	111.7933	4.153	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(SO3)(H)2	111.4050	3.640	2	111.4050	13.251	2	112.4965	8.595	13	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SO3)(H)2	112.6845	3.110	10	112.6845	9.673	10	112.4965	8.595	13	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[5]HH)(CHHS)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(SO3)(H)2	112.7990	0.000	1	112.7990	0.000	1	112.4965	8.595	13	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	110.5257	0.933	3	110.5257	0.871	3	110.5257	0.871	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NC[6]CuC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NC[6]CuC)(CCHH)(H)2	106.9890	0.000	1	106.9890	0.000	1	111.8348	11.570	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	111.1140	0.000	1	111.1140	0.000	1	111.8348	11.570	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NIrCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NIrCC)(CCHH)(H)2	116.5130	0.000	1	116.5130	0.000	1	111.8348	11.570	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NReCC)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(NReCC)(CCHH)(H)2	112.2790	0.000	2	112.2790	0.000	2	111.8348	11.570	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CN[5]HH)(CHHP)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	109.0436	2.501	5	109.0436	6.257	5	109.0436	6.257	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(SiC[6a]2C)(CCHH)(H)2	C(CN[5]HH)(CSiHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(SiC[6a]2C)(CCHH)(H)2	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CN[5a]HH)(CCFF)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CF3)(F)2	C(CN[5a]HH)(CCFF)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CF3)(F)2	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9123	0.914	3	113.9123	0.836	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.2215	1.274	11	113.2215	1.623	11	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.4160	0.540	5	111.4160	0.292	5	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,5a]C[5a,6a])(CCHH)(H)2	C(CCHH)2(H)2	113.0140	2.005	3	113.0140	4.020	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.7760	0.636	3	114.7760	0.404	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	111.5710	1.737	4	111.5710	3.018	4	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	109.8260	0.000	1	109.8260	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.1488	0.911	5	112.1488	0.831	5	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2195	4.028	40	114.2195	16.228	40	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	111.8280	0.000	1	111.8280	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.1890	0.000	1	114.1890	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.0654	1.625	37	113.0654	2.639	37	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	114.3837	3.704	3	114.3837	13.717	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	112.3420	0.000	1	112.3420	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	105.4740	7.620	2	105.4740	58.061	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.6250	0.918	2	111.6250	0.842	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5,5a])(CCHH)(H)2	C(CCHH)2(H)2	111.4430	0.000	1	111.4430	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.3230	0.194	3	112.3230	0.038	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1545	0.579	4	113.1545	0.335	4	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.5871	2.124	24	111.5871	4.512	24	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.1880	0.000	1	113.1880	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	115.4030	0.000	1	115.4030	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)2(H)2	113.1079	2.045	27	113.1079	4.181	27	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CClCH)(CCHH)(H)2	114.4720	0.000	1	114.4720	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	112.6318	2.207	5	112.6318	4.872	5	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.8270	0.000	1	111.8270	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.0650	0.000	1	113.0650	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	112.7345	0.786	6	112.7345	0.617	6	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	112.9907	1.114	3	112.9907	1.241	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4724	2.984	14	112.4724	8.904	14	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	114.8840	1.679	2	114.8840	2.818	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.9080	1.681	24	112.9080	2.826	24	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.9985	1.699	2	114.9985	2.887	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	114.4225	3.116	2	114.4225	9.711	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	111.6396	2.610	24	111.6396	6.810	24	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7396	2.417	8	112.7396	5.844	8	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	115.0610	0.000	1	115.0610	0.000	1	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)2(H)2	113.1260	2.013	29	113.1260	4.051	29	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	111.7330	1.987	2	111.7330	3.948	2	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	112.3932	2.198	6	112.3932	4.832	6	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.5809	1.048	7	112.5809	1.098	7	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(N[5a]N[5a]2)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	110.8527	2.292	3	110.8527	5.251	3	112.8406	6.272	324	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	111.8410	1.209	5	111.8410	1.463	5	111.3266	2.262	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.5065	0.032	2	111.5065	0.001	2	111.3266	2.262	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NC3)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(NC3)(H)2	108.3950	0.000	1	108.3950	0.000	1	111.3266	2.262	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a,6a]2)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	113.3240	0.000	1	113.3240	0.000	1	112.1997	2.454	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CN[5a]HH)(CSiHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(SiO3)(H)2	111.8250	1.685	3	111.8250	2.838	3	112.1997	2.454	4	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a,6]C[5a])(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	117.3540	0.000	1	117.3540	0.000	1	112.5397	25.372	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NC[6]CuC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NC[6]CuC)(CCHH)(H)2	107.3060	0.000	1	107.3060	0.000	1	112.5397	25.372	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NReCC)(CCHH)(H)2	C(CN[5a]HH)(CHHN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(NReCC)(CCHH)(H)2	112.9590	0.000	1	112.9590	0.000	1	112.5397	25.372	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	110.7340	0.832	3	110.7340	0.693	3	110.7340	0.693	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C(PIrCC)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a,6a]B[5a])(CCHH)(H)2	C(PIrCC)(CCHH)(H)2	113.3185	1.925	2	113.3185	3.707	2	112.0000	7.069	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	109.3630	0.000	1	109.3630	0.000	1	112.0000	7.069	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1200	0.000	1	112.1200	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	115.7470	0.000	1	115.7470	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CCHH)2(H)2	112.6290	0.000	1	112.6290	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4218	2.479	4	112.4218	6.147	4	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9784	6.452	11	113.9784	41.629	11	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	111.4002	1.713	20	111.4002	2.933	20	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	113.7640	0.000	1	113.7640	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9510	1.291	8	113.9510	1.666	8	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	108.9380	0.000	1	108.9380	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.3061	1.424	8	111.3061	2.027	8	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)2(H)2	111.2698	0.979	4	111.2698	0.959	4	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	112.9078	2.144	6	112.9078	4.595	6	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CC3)(H)2	115.3960	0.000	1	115.3960	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6288	2.312	96	112.6288	5.345	96	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHI)(H)2	110.5430	0.000	1	110.5430	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.1044	3.594	5	113.1044	12.916	5	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	111.0996	1.447	14	111.0996	2.093	14	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	113.1406	4.633	171	113.1406	21.464	171	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	110.7570	0.974	2	110.7570	0.949	2	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	113.1875	1.370	2	113.1875	1.876	2	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	114.6340	0.000	1	114.6340	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	112.6186	2.121	27	112.6186	4.497	27	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	114.2230	0.000	1	114.2230	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]S[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.3120	0.000	1	110.3120	0.000	1	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.9670	3.712	2	113.9670	13.781	2	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	113.0207	1.970	14	113.0207	3.881	14	112.7809	12.852	404	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	112.1555	1.873	2	112.1555	3.509	2	111.5713	4.513	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.4253	2.276	8	111.4253	5.179	8	111.5713	4.513	10	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(SO3)(H)2	114.3750	0.000	1	114.3750	0.000	1	111.7872	5.966	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(SO3)(H)2	111.1403	2.273	4	111.1403	5.164	4	111.7872	5.966	5	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CN[6]HH)(CSiHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CN[6]HH)(CSiHH)(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[6,6a]2)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	108.2675	0.671	2	108.2675	0.450	2	108.2675	0.450	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C(CCHH)2(H)2	111.7717	1.539	6	111.7717	2.367	6	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2530	0.000	1	112.2530	0.000	1	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.1570	0.000	1	112.1570	0.000	1	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.1380	0.000	1	110.1380	0.000	1	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	112.6653	0.073	3	112.6653	0.005	3	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8896	0.859	8	112.8896	0.739	8	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C(CCHH)2(H)2	113.3878	2.266	6	113.3878	5.135	6	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C(CCHH)2(H)2	110.4410	0.000	1	110.4410	0.000	1	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9510	1.393	3	111.9510	1.941	3	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(CCHH)2(H)2	111.2243	1.234	6	111.2243	1.523	6	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5959	3.831	23	112.5959	14.676	23	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	116.1430	0.000	1	116.1430	0.000	1	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(H)2	112.1279	1.809	30	112.1279	3.272	30	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	111.8868	0.808	4	111.8868	0.652	4	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	111.6230	1.241	3	111.6230	1.539	3	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)2(H)2	111.8265	1.688	2	111.8265	2.849	2	112.2830	5.382	99	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OC[6a]V)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(OC[6a]V)(CCHH)(H)2	C(CCHH)2(H)2	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O[4]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CO[4]HH)(CHHN)(H)2	C(O[4]In[4]2)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CO[4]HH)(CHHN)(H)2	C(O[4]In[4]2)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CO[5]HH)(CCHH)(H)2	C(O[5]B[5]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CO[5]HH)(CCHH)(H)2	C(O[5]B[5]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.7350	0.000	1	111.7350	0.000	1	112.4963	1.652	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	112.5445	1.466	6	112.5445	2.150	6	112.4963	1.652	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9680	0.000	1	112.9680	0.000	1	112.4963	1.652	8	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]Ag)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]Ag)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	111.0915	1.136	2	111.0915	1.291	2	112.9650	6.138	6	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1260	2.413	3	113.1260	5.823	3	112.9650	6.138	6	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(CPdCH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(CPdCH)(CCHH)(H)2	116.2290	0.000	1	116.2290	0.000	1	112.9650	6.138	6	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	114.4030	0.000	1	114.4030	0.000	1	114.3090	0.018	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(SC[6a]Pd)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	114.2150	0.000	1	114.2150	0.000	1	114.3090	0.018	2	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(SeGaC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(SeGaC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9510	0.000	1	111.9510	0.000	1	113.6760	2.328	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(SePdRh)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(SePdRh)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2280	0.000	1	114.2280	0.000	1	113.6760	2.328	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(SeSnC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(SeSnC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.8490	0.000	1	114.8490	0.000	1	113.6760	2.328	3	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	C(CSeHH)(CHHN)(H)2	C(SeC[6a]Pd)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]Si)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[6a]Si)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:I-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	C(CCCH)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	C(CCCH)(CCHI)(H)2	117.6920	0.000	1	117.6920	0.000	1	117.6920	0.000	1	113.2506	7.989	3699	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]HH)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(NS)(H)	111.3870	0.238	2	111.3870	0.056	2	111.8827	0.765	3	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CSiCC)(CCHH)(NP)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CSiCC)(CCHH)(NP)(H)	112.8740	0.000	1	112.8740	0.000	1	111.8827	0.765	3	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	115.5090	0.000	1	115.5090	0.000	1	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)(OH)(H)	112.7105	0.769	4	112.7105	0.591	4	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CC3)(OSi)(H)	112.8910	0.000	1	112.8910	0.000	1	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(OH)(H)	113.4745	0.589	2	113.4745	0.347	2	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	112.6400	0.000	1	112.6400	0.000	1	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHS)(OH)(H)	113.0960	3.660	2	113.0960	13.395	2	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(OH)(H)	115.1135	2.545	2	115.1135	6.476	2	113.4808	2.930	13	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CN[5]HH)(CCHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	111.6620	0.000	1	111.6620	0.000	1	111.6620	0.000	1	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Si-4:O-2:H-1:	C(CN[5]HH)(CSiHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SiC3)(OH)(H)	C(CN[5]HH)(CSiHO)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(SiC3)(OH)(H)	113.1380	0.000	1	113.1380	0.000	1	113.1380	0.000	1	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CN[5a]HH)(CCHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHN)(OC)(H)	123.3340	7.155	2	123.3340	51.187	2	123.3340	51.187	2	114.2277	14.502	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CCHH)2(CCC)(H)	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(CCH)(H)	114.5690	0.000	1	114.5690	0.000	1	114.9673	0.122	3	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	115.1665	0.080	2	115.1665	0.006	2	114.9673	0.122	3	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCN)(CCHH)(NHS)(H)	111.3590	0.165	2	111.3590	0.027	2	112.3120	1.925	4	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(NCC)(H)	114.2930	0.000	1	114.2930	0.000	1	112.3120	1.925	4	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CSiCC)(CCHH)(NHP)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CSiCC)(CCHH)(NHP)(H)	112.2370	0.000	1	112.2370	0.000	1	112.3120	1.925	4	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	110.4990	0.000	1	110.4990	0.000	1	113.2007	2.534	6	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NCHH)(COO)(H)	112.0270	0.000	1	112.0270	0.000	1	113.2007	2.534	6	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(CNO)(H)	114.2993	0.133	3	114.2993	0.018	3	113.2007	2.534	6	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(COO)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(NH3)(COO)(H)	113.7800	0.000	1	113.7800	0.000	1	113.2007	2.534	6	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:N-3:H-1:	C(CC[6a]HH)(CHNP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(PO3)(NCH)(H)	111.9210	0.000	1	111.9210	0.000	1	111.9210	0.000	1	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:O-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CN[5]HH)(CCCH)(H)(O)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCCH)(H)(O)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)(CCO)(H)	114.5125	2.238	2	114.5125	5.009	2	114.5125	5.009	2	113.4203	2.403	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Si-4:C-3:O-2:	C(CN[5a]HH)(CSiCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(SiC3)(CHO)(OH)	C(CN[5a]HH)(CSiCO)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(SiC3)(CHO)(OH)	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CH3)2(H)	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	114.4430	0.000	1	114.4430	0.000	1	114.3432	1.076	5	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	116.0730	0.000	1	116.0730	0.000	1	114.3432	1.076	5	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CHHN)2(H)	113.9600	0.000	1	113.9600	0.000	1	114.3432	1.076	5	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CRhCH)(CCHH)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CRhCH)(CCHH)2(H)	113.8550	0.000	1	113.8550	0.000	1	114.3432	1.076	5	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(H)2	C(CCHH)(CHHN)2(H)	113.3850	0.000	1	113.3850	0.000	1	114.3432	1.076	5	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)(NH3)(H)	112.2828	0.580	4	112.2828	0.336	4	112.2828	0.336	4	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	C(NC[5]C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)2(H)	115.8295	5.932	2	115.8295	35.188	2	114.6353	21.872	3	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	112.2470	0.000	1	112.2470	0.000	1	114.6353	21.872	3	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHO)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(CHHO)2(H)	111.3680	0.000	1	111.3680	0.000	1	112.8337	1.669	3	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.8070	0.000	1	113.8070	0.000	1	112.8337	1.669	3	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.3260	0.000	1	113.3260	0.000	1	112.8337	1.669	3	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(CH3)2(H)	111.9825	0.265	2	111.9825	0.070	2	113.0428	3.851	6	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.5730	2.296	4	113.5730	5.271	4	113.0428	3.851	6	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CHHS)(H)2	C(SC[6a]O)(CCHH)(H)2	C(CCHH)2(CH3)(H)	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	113.5304	4.070	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:2:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C(CBrCH)(CH3)2(OC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(C[6a]C[6a,6a]C[6a])(CBrCH)(H)2	C(CBrCH)(CH3)2(OC)	115.2225	1.165	2	115.2225	1.356	2	115.2225	1.356	2	115.7368	3.178	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	118.7160	0.000	1	118.7160	0.000	1	116.0797	5.237	3	115.7368	3.178	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	114.7615	0.223	2	114.7615	0.050	2	116.0797	5.237	3	115.7368	3.178	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C(CCHH)(CCNP)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(PO3)(NOO)	113.0880	0.000	1	113.0880	0.000	1	113.0880	0.000	1	114.9292	1.604	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)2(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(CH3)2(NCH)	115.1060	0.000	1	115.1060	0.000	1	115.5430	0.146	3	114.9292	1.604	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)2(CH3)(NCH)	115.7615	0.080	2	115.7615	0.006	2	115.5430	0.146	3	114.9292	1.604	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NPdHH)(CCHH)(CH3)2	C(CC[6a]HH)(CCCN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(NPdHH)(CCHH)(CH3)2	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	117.7340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:Cl-1:Cl-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:O-1:	C(CC[6a]HO)2(Cl)2	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	C(CC[6a]HO)2(Cl)2	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(C[6a]C[6a]2)(CCl2C)(H)(O)	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]O)(CCHH)(H)2	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(NC[6a]C)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(NC[6a]C)(CCHH)(H)2	110.4370	0.000	1	110.4370	0.000	1	112.2815	6.804	2	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(NC[6a]S)(CCHH)(H)2	C(CC[6a]HO)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(NC[6a]S)(CCHH)(H)2	114.1260	0.000	1	114.1260	0.000	1	112.2815	6.804	2	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CC[6a]HO)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(N[5a]C[5a]2)(CCHH)(H)2	C(CC[6a]HO)(CN[5a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(N[5a]C[5a]2)(CCHH)(H)2	113.8180	0.000	1	113.8180	0.000	1	113.8180	0.000	1	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HS)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	111.5140	0.513	2	111.5140	0.264	2	111.5140	0.264	2	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	113.3003	6.802	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:2:1:	C-4:C-4:Cl-1:Cl-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HO)2(Cl)2	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	C(CC[6a]HO)2(Cl)2	C(C[6a]C[6a]2)(CCl2C)(OC)(H)	C(C[6a]C[6a]2)(CCl2C)(OH)(H)	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CC[5a]HO)(CC[6a]CH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	114.3627	0.290	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)2(H)	114.6220	0.420	2	114.6220	0.176	2	114.6220	0.176	2	114.3627	0.290	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CBrCH)(H)3	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CBrCH)(H)3	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(F)(H)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CCFH)(H)3	C(CC[6a]HO)(CH3)(F)(H)	C(C[6a]C[6a]N[6a])(CCFH)(OC)(H)	C(CCFH)(H)3	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CC[4]H)(CCHH)(NN)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CC[4]H)(CCHH)(NN)(H)	C(CCHH)(H)3	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]N[5]S[5])(CCHH)(OH)(H)	C(CCHH)(H)3	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:Br-1:H-1:H-1:	C(CC[6a]CH)(CBrHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(Br)(H)2	C(CC[6a]CH)(CBrHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(Br)(H)2	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(F)3	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(F)3	114.2625	0.736	2	114.2625	0.542	2	114.2625	0.542	2	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CCHH)(H)3	113.0740	0.031	2	113.0740	0.001	2	113.0740	0.001	2	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CCHH)(H)3	111.8500	0.000	1	111.8500	0.000	1	111.8500	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[6a]HO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(H)3	115.0803	2.693	4	115.0803	7.251	4	115.0803	7.251	4	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:Cl-1:Cl-1:H-1:	C(CC[6a]HS)(CCl2H)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CCHH)(Cl)2(H)	C(CC[6a]HS)(CCl2H)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CCHH)(Cl)2(H)	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CCHH)(H)3	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(OSi)(H)	C(CCHH)(H)3	111.4230	0.000	1	111.4230	0.000	1	111.4230	0.000	1	113.9928	3.176	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OH)(H)	C(CBrCH)(OH)(H)2	114.3457	1.136	3	114.3457	1.290	3	114.3457	1.290	3	113.5835	1.501	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	C(CC[6a]HO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	113.1750	0.832	2	113.1750	0.691	2	113.1750	0.691	2	113.5835	1.501	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HS)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HS)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SC)(H)	C(CCHH)(OH)(H)2	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	113.5835	1.501	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHH)(NCH)(H)2	C(CCHO)(CHHN)(H)2	C(CC[6a]O)(CCHH)(OH)(H)	C(CCHH)(NCH)(H)2	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CCHH)(NCC)(H)2	C(CC[5a]HO)(CHHN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(OH)(H)	C(CCHH)(NCC)(H)2	111.7815	0.170	2	111.7815	0.029	2	111.7815	0.029	2	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:S-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HS)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C(CCHH)(CCO)(H)2	C(CC[5a]HS)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(SC)(H)	C(CCHH)(CCO)(H)2	110.5840	0.000	1	110.5840	0.000	1	110.5840	0.000	1	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(NSS)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(NSS)(H)2	116.6210	0.150	2	116.6210	0.022	2	116.6210	0.022	2	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CCHH)(COO)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CCHH)(COO)(H)2	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HN)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CCHH)(NSS)(H)2	C(CC[6a]HN)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CCHH)(NSS)(H)2	113.4750	0.594	2	113.4750	0.353	2	113.4750	0.353	2	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CCHH)(CNO)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CCHH)(CNO)(H)2	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:H-1:I-1:	N[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CCHI)(NCS)(H)2	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C(CCHI)(NCS)(H)2	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	113.3926	4.159	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:C-3:Cl-1:	C(CC[6a]HO)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CCHH)(COO)2(Cl)	C(CC[6a]HO)(CClCC)(H)2	C(C[6a]C[6a]2)(CCHH)(OO)(H)	C(CCHH)(COO)2(Cl)	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CBrCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(OC)(H)	C(CBrCH)(CCHH)(H)2	118.2100	0.000	1	118.2100	0.000	1	118.2100	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CC[6a]HO)(CClCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CClCH)2(Cl)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(OC)(H)	C(CClCH)2(Cl)(H)	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCl3)(H)2	111.3560	0.000	1	111.3560	0.000	1	112.0690	1.017	2	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	C(CC[5]HI)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NC)(H)	C(CC[5]HI)(CCHH)(H)2	112.7820	0.000	1	112.7820	0.000	1	112.0690	1.017	2	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CCHH)(CH3)(H)2	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(C[5]O[5]2H)(CCHH)(H)2	C(CC[5a]CH)(CC[5]HH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(C[5]O[5]2H)(CCHH)(H)2	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:As-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]AsH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CCHH)2(H)2	C(CC[6]AsH)(CCHH)(H)2	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CCHH)2(H)2	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(OSi)(H)	C(CCHH)2(H)2	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:F-1:H-1:	C(CC[6a]CH)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)2(F)(H)	C(CC[6a]CH)(CCFH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)2(F)(H)	112.2760	0.000	1	112.2760	0.000	1	112.2760	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]HH)(CCHH)(H)2	113.9970	0.000	1	113.9970	0.000	1	113.9970	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OC)(H)	C(CCHH)2(H)2	115.9395	0.537	2	115.9395	0.288	2	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CCHN)(H)2	114.7960	0.857	2	114.7960	0.734	2	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CHHN)(H)2	115.1130	0.763	3	115.1130	0.582	3	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)2(H)2	114.8967	1.997	4	114.8967	3.989	4	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(ON)(H)	C(CCHH)(CC3)(H)2	113.4590	0.000	1	113.4590	0.000	1	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CC[6a]HO)(CCHH)(H)2	115.0470	1.223	4	115.0470	1.495	4	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	C(CCHH)(CCHO)(H)2	115.4090	0.000	1	115.4090	0.000	1	115.0266	1.444	17	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[6a]HO)(CC[4]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(C[4]C[4]2H)(CCHH)(H)2	113.1352	0.663	5	113.1352	0.440	5	113.1352	0.440	5	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CHHO)(H)2	113.8370	0.000	1	113.8370	0.000	1	113.8370	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HO)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(H)2	C(CN[5a]HO)(CCHH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(H)2	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HO)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CN[6]HO)(CCHH)(H)2	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CCHH)2(H)2	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	114.3201	2.941	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	C(CBrCH)(CCFH)(OSi)(H)	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	114.8054	4.330	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CC[5,6]O)(CCHH)(OC)(H)	C(CCHH)(CH3)(OC)(H)	114.9140	2.455	2	114.9140	6.027	2	114.9140	6.027	2	114.8054	4.330	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]HO)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CCCO)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHO)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(OH)(H)	C(CCCO)(CCHH)(OC)(H)	113.4085	0.853	2	113.4085	0.728	2	113.4085	0.728	2	114.8054	4.330	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-3:C-4:N-2:H-1:	C-4:C-4:C-3:C-3:	C(CCHN)(CC3)(H)2	C(CN[5]O)(CCHH)(NN)(H)	C(CCHH)2(COO)2	C(CCHN)(CC3)(H)2	C(CN[5]O)(CCHH)(NN)(H)	C(CCHH)2(COO)2	114.9750	0.000	1	114.9750	0.000	1	114.9750	0.000	1	114.9750	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CN[5]O)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	C(CN[5]O)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	115.4910	0.000	1	115.4910	0.000	1	115.4910	0.000	1	113.9615	4.679	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)2(CHHO)(H)	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	113.9615	4.679	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(CHHS)(CH3)(OC)	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	117.2420	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:C-3:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(CH3)2(COO)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CCHH)(CH3)2(COO)	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(H)2	C(CC[6a]O)(CCHH)(CN)(OC)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCO)(H)2	C(CC[6a]O)(CCHH)(CN)(OC)	C(C[6a]C[6a]2)(CCHH)(H)2	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:2:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CCHH)(H)3	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	113.7590	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(SC[6a])(CCHH)(H)2	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(SC[6a])(CCHH)(H)2	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.8165	0.687	2	114.8165	0.471	2	114.8165	0.471	2	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5a]HN)(CC[6a]HH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.9875	0.551	2	113.9875	0.303	2	113.9875	0.303	2	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	B[5]-3:C-4:H-1:H-1:	C(CC[6a]HN)(CB[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(B[5]O[5]2)(CCHH)(H)2	C(CC[6a]HN)(CB[5]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(B[5]O[5]2)(CCHH)(H)2	114.0260	0.000	1	114.0260	0.000	1	114.0260	0.000	1	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.2465	1.292	2	114.2465	1.669	2	114.2465	1.669	2	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CH)(H)2	C(N[5a]C[5a]2)(CCHH)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	112.4890	2.016	3	112.4890	4.065	3	112.4890	4.065	3	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6]CH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]CH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	113.7917	1.841	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	112.9710	0.000	1	112.9710	0.000	1	115.1150	9.193	2	115.1150	9.193	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]HN)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	117.2590	0.000	1	117.2590	0.000	1	115.1150	9.193	2	115.1150	9.193	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CC[6a]CO)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHH)2(OH)	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CBrCH)(H)3	C(CC[6a]HN)(CH3)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NSS)(H)	C(CBrCH)(H)3	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	N[5]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HN)(CH3)(Br)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CBrCH)(H)3	C(CN[5]HN)(CH3)(Br)(H)	C(N[5]C[5]2)(CBrCH)(NCH)(H)	C(CBrCH)(H)3	112.6680	0.000	1	112.6680	0.000	1	112.6680	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CCFH)(H)3	C(CC[6a]HN)(CH3)(F)(H)	C(C[6a]C[6a]2)(CCFH)(NSS)(H)	C(CCFH)(H)3	113.2880	2.976	2	113.2880	8.854	2	113.2880	8.854	2	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CHO)(H)	C(CCHH)(H)3	113.4000	0.000	1	113.4000	0.000	1	112.4175	1.931	2	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(COO)(H)	C(CCHH)(H)3	111.4350	0.000	1	111.4350	0.000	1	112.4175	1.931	2	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CF)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	C(CCHH)(H)3	C(CC[6a]CF)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	C(CCHH)(H)3	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)(H)3	113.0700	0.777	7	113.0700	0.603	7	112.6347	0.958	19	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)(H)3	112.3807	1.024	12	112.3807	1.048	12	112.6347	0.958	19	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HN)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(Cl)(H)2	C(CC[6a]HN)(CClHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(Cl)(H)2	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HN)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(F)3	C(CC[6a]HN)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(F)3	114.1780	0.000	1	114.1780	0.000	1	114.1780	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:F-1:F-1:H-1:	C(CC[6a]HN)(CFFH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(F)2(H)	C(CC[6a]HN)(CFFH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(F)2(H)	112.3835	0.613	2	112.3835	0.376	2	112.3835	0.376	2	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a,6a]2)(CCHH)(NHS)(H)	C(CCHH)(H)3	112.9760	0.000	1	112.9760	0.000	1	113.6098	0.710	9	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(H)3	114.0860	0.947	3	114.0860	0.897	3	113.6098	0.710	9	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	C(CCHH)(H)3	113.8110	0.839	3	113.8110	0.704	3	113.6098	0.710	9	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NZnC)(H)	C(CCHH)(H)3	112.9105	0.547	2	112.9105	0.299	2	113.6098	0.710	9	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C(CCHH)(H)3	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(SRu2)(H)	C(CCHH)(H)3	111.5913	1.258	4	111.5913	1.583	4	111.5913	1.583	4	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6a]C)(CCHH)(CCN)(H)	C(CCHH)(H)3	112.7970	0.000	1	112.7970	0.000	1	112.7970	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CCH)(H)	C(CCHH)(H)3	109.6495	3.379	2	109.6495	11.419	2	112.0961	1.283	28	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(H)3	112.3160	0.665	23	112.3160	0.443	23	112.0961	1.283	28	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(H)3	112.0407	0.436	3	112.0407	0.190	3	112.0961	1.283	28	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CCHH)(H)3	C(CN[5]HO)(CH3)(H)2	C(N[5]C[5]N[5])(CCHH)(OFe2)(H)	C(CCHH)(H)3	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	112.6125	1.583	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C(CBrCH)(OC)(H)2	C(CC[6a]CH)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCH)(H)	C(CBrCH)(OC)(H)2	111.6845	0.798	2	111.6845	0.637	2	111.6845	0.637	2	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(OH)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(OH)(H)2	117.1570	0.000	1	117.1570	0.000	1	115.1310	3.079	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(OSi)(H)2	C(CC[6a]HN)(CHHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(OSi)(H)2	114.1180	0.000	2	114.1180	0.000	2	115.1310	3.079	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)(OH)(H)2	114.7420	0.000	1	114.7420	0.000	1	114.7420	0.000	1	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a,6a]C[6a])(CCHH)(NHS)(H)	C(CCHH)(OH)(H)2	111.8760	0.000	1	111.8760	0.000	1	113.2073	1.332	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(OH)(H)2	113.9250	0.000	1	113.9250	0.000	1	113.2073	1.332	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HN)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCHH)(OH)(H)2	113.8210	0.000	1	113.8210	0.000	1	113.2073	1.332	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CC[6a]HN)(CHHS)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(SC)(H)2	C(CC[6a]HN)(CHHS)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(SC)(H)2	113.8790	0.948	2	113.8790	0.898	2	113.8790	0.898	2	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	112.3670	0.000	1	112.3670	0.000	1	113.3515	1.938	2	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	114.3360	0.000	1	114.3360	0.000	1	113.3515	1.938	2	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	112.8390	0.000	1	112.8390	0.000	1	112.6730	1.202	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CN[5]CH)(CHHS)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	112.5900	1.537	2	112.5900	2.363	2	112.6730	1.202	3	113.4754	2.230	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCHH)(COO)(H)2	114.1530	0.000	1	114.1530	0.000	1	114.1530	0.000	1	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]H)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	115.5390	0.000	1	115.5390	0.000	1	115.3390	0.080	2	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	115.1390	0.000	1	115.1390	0.000	1	115.3390	0.080	2	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)(NCC)(H)2	112.0950	0.000	1	112.0950	0.000	1	112.0950	0.000	1	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CCO)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CCO)(H)2	113.1490	0.000	1	113.1490	0.000	1	113.1490	0.000	1	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[3]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CN[3]HN)(CCHH)(H)2	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	C(CN[3]HN)(CCHH)(H)2	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(COO)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(COO)(H)2	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	113.8011	1.833	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C(CC[5a]CH)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CCHH)(COO)2(H)	C(CC[5a]CH)(CCCH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCC)(H)	C(CCHH)(COO)2(H)	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CCH)(H)	C(CCHH)2(H)2	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]O)(CCHH)(NCH)(H)	C(CCHH)2(H)2	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	113.8340	0.000	1	113.8340	0.000	1	113.9055	0.010	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CCHH)(CHHN)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CCHH)(CHHN)(H)2	113.9770	0.000	1	113.9770	0.000	1	113.9055	0.010	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C(CCHH)2(H)2	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]C[5a]N[5a])(CCHH)(NRuC)(H)	C(CCHH)2(H)2	115.9380	0.000	1	115.9380	0.000	1	116.4565	0.538	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]HN)(CCHH)(H)2	C(C[5a]N[5a,6a]C[5a])(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	116.9750	0.000	1	116.9750	0.000	1	116.4565	0.538	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CNO)(H)	C(CCHH)2(H)2	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HN)(CCHH)(H)2	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HI)(CCHH)(H)2	C(CC[6]HN)(CCHH)(H)2	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	C(CC[6]HI)(CCHH)(H)2	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:F-1:F-1:	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CNiFF)(CCHH)(F)2	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CNiFF)(CCHH)(F)2	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCC)(H)	C(CCHH)2(H)2	113.0930	0.000	1	113.0930	0.000	1	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(H)2	113.9830	0.000	1	113.9830	0.000	1	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)2(H)2	116.0500	0.000	1	116.0500	0.000	1	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	117.5940	0.000	1	117.5940	0.000	1	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)2(H)2	116.0855	2.135	2	116.0855	4.557	2	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)2(H)2	115.0730	0.000	1	115.0730	0.000	1	115.4234	3.028	7	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CCHH)(CHHN)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCC)(H)	C(CCHH)(CHHN)(H)2	114.1700	0.000	1	114.1700	0.000	1	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CF3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CF3)(H)2	112.3220	0.000	1	112.3220	0.000	1	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)2(H)2	113.4040	0.000	1	113.4040	0.000	1	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCN)(H)	C(CCHH)2(H)2	114.3060	0.000	1	114.3060	0.000	1	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCS)(H)	C(CCHH)2(H)2	115.4355	0.104	2	115.4355	0.011	2	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCCH)(CCHH)(H)2	117.0460	5.869	2	117.0460	34.445	2	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	113.5630	0.000	1	113.5630	0.000	1	114.7476	6.949	9	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[6a]HN)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(NHS)(H)	C(C[6]O[6]2H)(CCHH)(H)2	111.9145	0.356	2	111.9145	0.127	2	111.9145	0.127	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(NC[4a]H)(CCHH)(CNO)(H)	C(CCHH)(CHHN)(H)2	112.4390	0.000	1	112.4390	0.000	1	113.3677	2.111	3	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CNO)(H)	C(CCHH)(CH3)(H)2	112.6220	0.000	1	112.6220	0.000	1	113.3677	2.111	3	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	115.0420	0.000	1	115.0420	0.000	1	113.3677	2.111	3	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:F-1:	C-4:C-4:H-1:H-1:	C(CN[5]CF)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(F)	C(CCHH)(CFFH)(H)2	C(CN[5]CF)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(F)	C(CCHH)(CFFH)(H)2	110.8630	0.000	1	110.8630	0.000	1	110.8630	0.000	1	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	114.3140	1.867	2	114.3140	3.485	2	114.3140	3.485	2	114.3838	4.406	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NCH)(H)	C(CBrCH)(CHHS)(OH)(H)	115.1900	0.000	1	115.1900	0.000	1	115.3920	1.483	3	115.5458	2.443	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(NHS)(H)	C(CBrCH)(CHHS)(OSi)(H)	115.4930	1.704	2	115.4930	2.904	2	115.3920	1.483	3	115.5458	2.443	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]CH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCH)(H)	C(CCHH)2(OH)(H)	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	115.5458	2.443	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CN[5a]CH)(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	C(CCCH)(CCHH)(OSi)(H)	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	115.5458	2.443	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CN[5]O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.8800	0.000	1	114.8800	0.000	1	115.1385	0.134	2	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CN[6]O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CN[6]O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	115.3970	0.000	1	115.3970	0.000	1	115.1385	0.134	2	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HN)(CCCH)(H)2	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	C(C[5]N[5]O[5])(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CC[5a]HN)(CCCH)(H)2	C(C[5a]N[5a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	N-4:C-4:C-4:H-1:	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(NCrC)(H)	C(NCrCH)(CCHH)(CH3)(H)	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.3680	0.000	1	115.3680	0.000	1	115.3680	0.000	1	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	115.5610	0.000	1	115.5610	0.000	1	115.1360	1.006	5	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.3677	1.102	3	115.3677	1.215	3	115.1360	1.006	5	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	C(N[5]C[5]2)(CCHH)(COS)(H)	C(CCHH)(CH3)2(H)	114.0160	0.000	1	114.0160	0.000	1	115.1360	1.006	5	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]2)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.1150	0.288	2	115.1150	0.083	2	115.1820	0.055	3	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.3160	0.000	1	115.3160	0.000	1	115.1820	0.055	3	115.1274	0.344	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-2:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(CN)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	C(CCHH)(CH3)2(CN)	115.3890	0.000	1	115.3890	0.000	1	116.5770	2.009	3	116.5770	2.009	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-2:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(H)	C(CCHH)2(CH3)(CN)	117.1710	1.379	2	117.1710	1.901	2	116.5770	2.009	3	116.5770	2.009	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)3	C(CC[6a]HN)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CCHH)(CH3)3	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-3:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHO)(OH)	C(CC[6a]O)(CCHH)(H)2	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	112.9780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CCHH)(H)3	114.1370	0.509	3	114.1370	0.260	3	114.1370	0.260	3	114.4422	0.320	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CCHH)(H)3	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CCHH)(H)3	114.9000	0.246	2	114.9000	0.061	2	114.9000	0.061	2	114.4422	0.320	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:2:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:N-2:	C-4:C-2:Cl-1:H-1:	C(CC[6a]CN)(CClCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(CCHH)(CN)(Cl)(H)	C(CC[6a]CN)(CClCH)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(CCHH)(CN)(Cl)(H)	114.6620	0.000	1	114.6620	0.000	1	114.6620	0.000	1	114.6620	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C(CC[6a]CO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CCO)(OH)	C(CCHH)2(CH3)(H)	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-3:N-3:	C-4:C-4:H-1:H-1:	C(CC[5a]NN)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(NOO)2	C(CCHH)2(H)2	C(CC[5a]NN)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(NOO)2	C(CCHH)2(H)2	112.7640	0.000	1	112.7640	0.000	1	112.7640	0.000	1	113.3125	0.602	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CBrC)(CHO)	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CBrC)(CHO)	C(CC[6a]HH)(CCHH)(H)2	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	113.3125	0.602	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:4:	3:4:3:2:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C[6]-3:C-4:O-3:O-2:	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C(CC[6]CO)(CC[6]OO)(H)2	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:3:4:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-3:C-4:	C[6]-3:C-4:C-4:O-2:	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	118.9310	0.512	2	118.9310	0.262	2	118.9310	0.262	2	118.9310	0.262	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	2:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-2:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]S)(CCHH)(CH3)(H)	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NC[6a]S)(CCHH)(CH3)(H)	C(NC[6a])(CCHH)(CH3)2	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	118.7640	0.024	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	2:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	S-2:C-4:C-4:C-4:	C(CCCS)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	C(SC[6a])(CCHH)(CH3)2	118.7887	0.169	3	118.7887	0.028	3	118.7403	0.028	4	118.7640	0.024	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	2:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	S-2:C-4:C-4:C-4:	C(CCCS)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(SC[6a])(CCHH)(CH3)2	C(CCCS)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(SC[6a])(CCHH)(CH3)2	118.5950	0.000	1	118.5950	0.000	1	118.7403	0.028	4	118.7640	0.024	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:Br-1:H-1:	C[6a]-3:C-4:C-4:Br-1:	N-3:C-4:H-1:H-1:	C(CC[6a]BrC)(CHHN)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(NC[6a]C)(CBrCH)(H)2	C(CC[6a]BrC)(CHHN)(Br)(H)	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(NC[6a]C)(CBrCH)(H)2	117.4610	0.000	1	117.4610	0.000	1	117.4610	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:Br-1:H-1:	N-3:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(NC[6a]S)(CBrCH)(H)2	C(CCHN)(CHHN)(Br)(H)	C(NC[6a]S)(CBrCH)(CBrHH)(H)	C(NC[6a]S)(CBrCH)(H)2	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.3170	0.000	1	113.3170	0.000	1	113.3170	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CC[5]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5,5]O)(CCHH)(CH3)(H)	C(CC[5]O)(CCHH)(H)2	114.3185	2.340	2	114.3185	5.475	2	114.3537	2.741	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	C(CC[5]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)(CH3)(H)	C(CC[5]O)(CCHH)(H)2	114.4240	0.000	1	114.4240	0.000	1	114.3537	2.741	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5a]CH)(CC[6]HH)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCHH)(H)2	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.9120	0.000	1	113.9120	0.000	1	113.9120	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CC[6a]O)(CCHH)(H)2	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	112.0690	0.000	1	112.0690	0.000	1	113.1577	2.123	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	112.5910	0.000	1	112.5910	0.000	1	113.1577	2.123	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.8130	0.000	1	114.8130	0.000	1	113.1577	2.123	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]O)(CCHH)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C(CC[6a]O)(CCHH)(H)2	111.6930	0.000	1	111.6930	0.000	1	111.6930	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]C)(CCHH)(H)2	114.8820	0.000	1	114.8820	0.000	1	115.8270	2.507	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]H)(CCHH)(H)2	116.2995	1.917	2	116.2995	3.675	2	115.8270	2.507	3	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]CH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]CH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.2365	0.170	2	114.2365	0.029	2	114.2365	0.029	2	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	C(CN[5]CH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Se-3:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(CH3)(H)	C(SeFe2)(CCHH)(H)2	C(CSeCH)(CSeHH)(H)2	C(SeFe2)(CCHH)(CH3)(H)	C(SeFe2)(CCHH)(H)2	124.0735	10.128	2	124.0735	102.574	2	124.0735	102.574	2	115.4520	16.129	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a]C[6]H)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(OH)(H)	114.5060	0.000	1	114.5060	0.000	1	114.5060	0.000	1	114.5060	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	114.6090	0.920	4	114.6090	0.846	4	114.6162	0.635	5	114.6162	0.635	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	C(CC[6a]CH)(CC[6a]HN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	C(C[6a]C[6a]2)(CCHH)(NCH)(H)	114.6450	0.000	1	114.6450	0.000	1	114.6162	0.635	5	114.6162	0.635	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)2(H)	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	112.2413	6.513	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C[5]-3:P-4:C-4:H-1:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	110.8000	0.750	2	110.8000	0.562	2	110.8000	0.562	2	112.2413	6.513	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NC[6a]C)(CCHH)(CH3)(H)	C(NC[6a]H)(CCHH)(CH3)2	117.0665	0.001	2	117.0665	0.000	2	117.6137	0.453	4	117.6137	0.453	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	3:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(NC[6a]H)(CCHH)(CH3)2	118.1610	0.400	2	118.1610	0.160	2	117.6137	0.453	4	117.6137	0.453	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CCFF)(F)3	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C(CCFF)(F)3	116.2533	0.922	6	116.2533	0.850	6	116.2533	0.850	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[3,6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.3680	0.000	1	114.3680	0.000	1	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6,6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.2955	0.433	4	113.2955	0.187	4	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.9312	0.832	5	113.9312	0.692	5	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.3680	1.592	6	112.3680	2.533	6	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.1580	0.000	1	113.1580	0.000	1	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.3500	0.852	4	113.3500	0.725	4	113.2368	1.323	21	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5])(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(CCHH)(H)3	112.0070	0.517	3	112.0070	0.268	3	113.0490	2.191	5	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)(H)2	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CCHH)(H)3	C(CC[5a]CH)(CH3)(H)2	C(C[5a]N[5a]O[5a])(CCHH)2(H)	C(CCHH)(H)3	114.6120	0.291	2	114.6120	0.085	2	113.0490	2.191	5	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HS)(CH3)(H)2	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CCHH)(H)3	C(CC[5a]HS)(CH3)(H)2	C(C[5a]N[5a]2)(SC[6a]OO)(CCHH)(H)	C(CCHH)(H)3	111.5320	0.263	3	111.5320	0.069	3	111.5320	0.069	3	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4430	0.000	1	114.4430	0.000	1	112.8198	5.877	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	111.9758	2.635	4	111.9758	6.942	4	112.8198	5.877	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C(CCHH)(H)3	114.5730	0.000	1	114.5730	0.000	1	112.8198	5.877	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(F)3	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(F)3	114.1980	0.000	1	114.1980	0.000	1	114.1190	0.012	2	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(F)3	C(CC[6a]CH)(CF3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(F)3	114.0400	0.000	1	114.0400	0.000	1	114.1190	0.012	2	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)(H)3	113.2512	1.253	16	113.2512	1.571	16	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHH)(H)3	111.5935	0.025	2	111.5935	0.001	2	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.2085	5.743	6	112.2085	32.987	6	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(COOY)(H)	C(CCHH)(H)3	113.0990	0.000	1	113.0990	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(H)3	114.1877	1.914	74	114.1877	3.662	74	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CCHH)(H)	C(CCHH)(H)3	115.4812	1.897	5	115.4812	3.598	5	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]2O)(CCHH)(H)	C(CCHH)(H)3	112.2533	0.477	19	112.2533	0.228	19	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CCHH)(H)3	117.1740	0.000	1	117.1740	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(H)	C(CCHH)(H)3	112.9322	1.277	4	112.9322	1.629	4	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CErOO)(CCHH)(H)	C(CCHH)(H)3	112.2110	0.000	1	112.2110	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CYbOO)(CCHH)(H)	C(CCHH)(H)3	112.8510	0.000	1	112.8510	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CZrHH)(CCHH)(H)	C(CCHH)(H)3	114.6540	0.000	1	114.6540	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(H)	C(CCHH)(H)3	97.2093	0.000	1	97.2093	0.000	1	113.5416	6.604	132	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CCHH)(H)3	C(CC[6a]HN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CCHH)(H)3	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[5]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CCHH)(H)3	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)(H)3	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]HS)(CH3)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(H)	C(CCHH)(H)3	111.3560	0.000	1	111.3560	0.000	1	111.3560	0.000	1	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[5]Al)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.2930	0.000	1	113.2930	0.000	1	113.6940	0.968	11	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.6530	0.000	1	112.6530	0.000	1	113.6940	0.968	11	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHH)(H)3	113.8150	0.639	3	113.8150	0.408	3	113.6940	0.968	11	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)(CHHO)(H)	C(CCHH)(H)3	113.8195	0.641	4	113.8195	0.411	4	113.6940	0.968	11	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)2(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6a]H)(CCHH)2(H)	C(CCHH)(H)3	113.9825	2.473	2	113.9825	6.115	2	113.6940	0.968	11	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.5430	0.000	1	113.5430	0.000	1	113.8961	0.174	10	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	C(CCHH)(H)3	113.7577	0.748	3	113.7577	0.559	3	113.8961	0.174	10	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)(H)3	C(CN[5]CH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)(H)3	114.0242	0.185	6	114.0242	0.034	6	113.8961	0.174	10	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(CH3)(H)	C(CCHH)(H)3	113.8290	1.125	3	113.8290	1.265	3	115.1122	8.303	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	117.6420	4.448	2	117.6420	19.782	2	115.1122	8.303	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(CCHH)(H)3	C(CN[5a]CH)(CH3)(H)2	C(N[5a]C[5a]N[5a])(CC[6a]FF)(CCHH)(H)	C(CCHH)(H)3	113.9020	0.000	1	113.9020	0.000	1	115.1122	8.303	6	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]CH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CCHH)(H)3	C(CN[6]CH)(CH3)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CCHH)(H)3	114.1626	1.417	17	114.1626	2.008	17	114.1626	2.008	17	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C(CN[6a]CH)(CBrHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(Br)(H)2	C(CN[6a]CH)(CBrHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(Br)(H)2	115.0280	0.931	2	115.0280	0.866	2	115.0280	0.866	2	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(H)3	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(H)3	113.8398	0.765	18	113.8398	0.585	18	113.8284	0.555	19	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CCHH)(H)3	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C(CCHH)(H)3	113.6230	0.000	1	113.6230	0.000	1	113.8284	0.555	19	113.6624	4.616	245	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CB[5]CH)(CHHO)(H)2	C(B[5]O[5]2)(CCHH)2(H)	C(CCHH)(OC)(H)2	C(CB[5]CH)(CHHO)(H)2	C(B[5]O[5]2)(CCHH)2(H)	C(CCHH)(OC)(H)2	112.5955	1.573	2	112.5955	2.475	2	112.5955	2.475	2	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:P-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HP)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CCHH)(OH)(H)2	C(CC[5a]HP)(CHHO)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CCHH)(OH)(H)2	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)(OS)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)(OS)(H)2	113.1800	0.000	1	113.1800	0.000	1	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCHH)(OH)(H)2	111.8260	0.000	1	111.8260	0.000	1	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHH)(OH)(H)2	112.2610	0.000	1	112.2610	0.000	1	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHS)(H)	C(CCHH)(OC)(H)2	112.5705	0.748	8	112.5705	0.560	8	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(OC)(H)2	114.9275	1.237	4	114.9275	1.531	4	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]BrH)(CCHH)(H)	C(CCHH)(OC)(H)2	110.9690	0.000	1	110.9690	0.000	1	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(H)	C(CCHH)(OH)(H)2	112.8255	0.967	2	112.8255	0.934	2	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(CCHH)(OC)(H)2	C(CC[6a]CH)(CHHO)(H)2	C(C[6a]C[6a]2)(CC[6a]ClH)(CCHH)(H)	C(CCHH)(OC)(H)2	111.2500	0.717	2	111.2500	0.514	2	112.8331	2.000	20	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CCHH)(OS)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C(CCHH)(OS)(H)2	113.0290	0.000	1	113.0290	0.000	1	113.0290	0.000	1	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HP)(CHHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[6a]HP)(CHHO)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CCHH)(OH)(H)2	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	112.8278	1.694	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CClCH)(CCC)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CH3)(H)	C(CClCH)(CCC)(H)2	114.4605	1.695	2	114.4605	2.873	2	114.4605	2.873	2	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	C(CCHH)(CCO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	C(CCHH)(CCO)(H)2	118.0900	0.000	1	118.0900	0.000	1	115.5485	12.918	2	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	113.0070	0.000	1	113.0070	0.000	1	115.5485	12.918	2	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:Br-1:	C-4:C-3:H-1:H-1:	C(CC[6a]BrC)(CCHH)(H)2	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(CCHH)(CNO)(H)2	C(CC[6a]BrC)(CCHH)(H)2	C(C[6a]C[6a]2)(CBrCH)(CCHH)(Br)	C(CCHH)(CNO)(H)2	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CNO)(H)2	116.0060	0.000	1	116.0060	0.000	1	113.7933	3.725	3	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(CNO)(H)2	112.6870	0.327	2	112.6870	0.107	2	113.7933	3.725	3	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(NPdC)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(NPdC)(H)2	112.4080	0.000	1	112.4080	0.000	1	114.1677	3.681	3	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(NCC)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(NCC)(H)2	113.8820	0.000	1	113.8820	0.000	1	114.1677	3.681	3	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(NHS)(H)2	C(CC[6a]CH)(CHHN)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(NHS)(H)2	116.2130	0.000	1	116.2130	0.000	1	114.1677	3.681	3	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CCHH)(CCH)(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CCHH)(CCH)(H)2	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	114.7550	4.059	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:N-3:C-4:H-1:	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(CCHH)(NCrC)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(CCHH)(NCrC)(CH3)(H)	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	112.1287	14.361	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	P-4:C[5]-3:C-4:H-1:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	110.1810	0.000	1	110.1810	0.000	1	109.9450	0.111	2	112.1287	14.361	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:3:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:H-1:	P-4:C[5]-3:C-4:H-1:	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CCHH)(H)	C(PC[6a]2Pd)(C[5]C[5]2)(CCHH)(H)	109.7090	0.000	1	109.7090	0.000	1	109.9450	0.111	2	112.1287	14.361	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CClCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CClCH)(CCHH)(H)2	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	C(CCHH)2(H)2	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	C(CCHH)2(H)2	115.7065	1.838	2	115.7065	3.377	2	115.7065	3.377	2	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCCH)(CCHH)(H)	C(CCHH)2(H)2	113.4893	0.274	3	113.4893	0.075	3	115.0182	4.025	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]O)(CCHH)(CHHS)(H)	C(CCHH)2(H)2	116.0870	0.000	1	116.0870	0.000	1	115.0182	4.025	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	116.7770	2.373	2	116.7770	5.631	2	115.0182	4.025	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:I-1:	C(CCCH)(CCHI)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)2(H)(I)	C(CCCH)(CCHI)(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)2(H)(I)	116.0620	2.575	2	116.0620	6.632	2	116.0620	6.632	2	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]CH)(CCHH)(H)2	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CCHH)2(H)2	C(CC[4]CH)(CCHH)(H)2	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CCHH)2(H)2	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CC[5]HH)(CCHH)(H)2	112.5310	0.000	2	112.5310	0.000	2	113.6588	1.429	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2)(CC[5]HH)(CCHH)(H)	C(CCHH)2(H)2	114.7247	0.391	3	114.7247	0.153	3	113.6588	1.429	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5])(CCHH)(CH3)(H)	C(CCHH)2(H)2	112.7170	0.000	1	112.7170	0.000	1	113.6588	1.429	6	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(H)	C(C[3]C[3]2H)(CCHH)(H)2	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CCHH)2(H)2	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]N[5])(SC[6a]OO)(CCHH)(H)	C(CCHH)2(H)2	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a,6a]C[5a])(CCCH)(CCHH)(H)	C(CCHH)2(H)2	114.5350	0.000	1	114.5350	0.000	1	116.3781	12.857	13	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	114.1820	0.000	1	114.1820	0.000	1	116.3781	12.857	13	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)2(H)	C(CCHH)2(H)2	117.0612	3.853	10	117.0612	14.845	10	116.3781	12.857	13	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HN)(CCHH)(H)	C(CCHH)(CH3)(H)2	113.5860	0.000	1	113.5860	0.000	1	116.3781	12.857	13	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	118.5010	1.752	2	118.5010	3.070	2	117.0390	7.947	3	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C(CCHH)(CH3)(H)2	114.1150	0.000	1	114.1150	0.000	1	117.0390	7.947	3	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:F-1:F-1:	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CCFF)(CCHH)(F)2	C(CC[6a]CH)(CCFF)(H)2	C(C[6a]C[6a]N[6a])(CC[6a]CH)(CCHH)(H)	C(CCFF)(CCHH)(F)2	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C(CCHH)2(H)2	115.4655	1.894	2	115.4655	3.589	2	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCHH)2(H)2	114.7030	0.000	1	114.7030	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CCHH)2(H)2	113.5430	0.000	1	113.5430	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CHHN)(H)2	116.0580	1.440	5	116.0580	2.073	5	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(H)	C(CCHH)2(H)2	116.2790	0.000	1	116.2790	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CH3)(H)2	114.9634	1.549	16	114.9634	2.399	16	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	116.6320	0.000	1	116.6320	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(H)2	116.1173	2.526	3	116.1173	6.379	3	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCHH)(H)	C(CCHH)2(H)2	113.2980	0.000	1	113.2980	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(H)	C(CCHH)(CHHO)(H)2	112.9170	0.000	1	112.9170	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CClCH)(CCHH)(H)	C(CCHH)(CHHO)(H)2	111.5440	0.000	1	111.5440	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5]CH)(CCHH)(H)	C(CCHH)(CHHN)(H)2	114.2325	2.279	2	114.2325	5.194	2	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(H)	C(CCHH)(CH3)(H)2	113.0810	0.000	1	113.0810	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(CCHN)(H)2	113.4170	0.000	1	113.4170	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)(CHHO)(H)2	112.7020	0.000	1	112.7020	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(CCHH)2(H)	C(CCHH)2(H)2	115.2350	0.000	1	115.2350	0.000	1	114.8924	2.988	39	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6a]CH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(CCHH)(CH3)(H)2	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HS)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CCHH)2(H)2	C(CC[6a]HS)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(SNOO)(H)	C(CCHH)2(H)2	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)(CH3)(H)2	115.0510	0.481	4	115.0510	0.231	4	115.4006	0.784	5	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(H)	C(CCHH)2(H)2	116.7990	0.000	1	116.7990	0.000	1	115.4006	0.784	5	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(CCHH)(CHHN)(H)2	114.3020	0.840	2	114.3020	0.706	2	114.3871	1.868	7	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]C)(CBHH)(CCHH)(H)	C(CCHH)(CHHN)(H)2	113.8645	0.716	2	113.8645	0.513	2	114.3871	1.868	7	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CCHH)(CH3)(H)2	112.3540	0.000	1	112.3540	0.000	1	114.3871	1.868	7	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]H)(CCHH)(CH3)(H)	C(CC[6a]HO)(CCHH)(H)2	116.0115	0.138	2	116.0115	0.019	2	114.3871	1.868	7	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]H)(CCHH)(CH3)(H)	C(NC[6]HH)(CCHH)(H)2	116.2580	0.000	1	116.2580	0.000	1	116.2580	0.000	1	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5,6a]C[5])(CCHH)2(H)	C(CCHH)2(H)2	115.1915	0.422	2	115.1915	0.178	2	115.1672	4.689	69	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	116.8690	0.000	1	116.8690	0.000	1	115.1672	4.689	69	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)(CH3)(H)2	115.8785	0.319	2	115.8785	0.102	2	115.1672	4.689	69	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)2(H)	C(CCHH)2(H)2	115.1176	2.234	64	115.1176	4.992	64	115.1672	4.689	69	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]CH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CN[5a]CH)(CCHH)(H)2	C(N[5a]C[5a]2)(CCHH)2(H)	C(CCHH)2(H)2	113.2765	0.177	2	113.2765	0.032	2	113.2765	0.032	2	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CCHH)2(H)2	114.5318	1.778	4	114.5318	3.162	4	118.0523	19.813	8	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)2(H)	C(CCHH)2(H)2	121.5727	3.165	4	121.5727	10.019	4	118.0523	19.813	8	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)2(H)2	112.1920	0.451	2	112.1920	0.204	2	115.1712	7.867	14	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(H)2	115.6677	2.720	12	115.6677	7.396	12	115.1712	7.867	14	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(PC[6a]C)(CCHH)2(H)	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(PC[6a]C)(CCHH)2(H)	C(CCHH)2(H)2	116.3293	0.406	4	116.3293	0.164	4	116.3293	0.164	4	115.2154	5.709	189	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[6]HH)(CCHH)(OH)(H)	116.9130	0.436	2	116.9130	0.190	2	116.9130	0.190	2	116.2742	6.779	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C(CC[3]HO)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CC[3]HO)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CH3)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	114.2390	0.679	2	114.2390	0.461	2	114.2390	0.461	2	116.2742	6.779	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(CC[6a]CH)(CC[5]HO)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	116.2742	6.779	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]SiH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(H)	C(CClHH)(CCHH)(OC)(H)	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	116.2742	6.779	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:2:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C(CCCH)(CC3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CC[6a]HH)(CCHH)(CN)2	C(CCCH)(CC3)(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CC[6a]HH)(CCHH)(CN)2	116.1510	0.266	3	116.1510	0.071	3	116.1510	0.071	3	115.5916	1.501	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:2:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CCHH)2(CN)2	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(H)	C(CCHH)2(CN)2	114.7525	1.875	2	114.7525	3.514	2	114.7525	3.514	2	115.5916	1.501	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CC[5]O)(CCHH)(CH3)(H)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)2(H)2	C(CC[5]O)(CCHH)(CH3)(H)	C(CCHH)(CH3)(CCO)(H)	114.5270	0.000	1	114.5270	0.000	1	114.0020	0.551	2	114.5768	2.726	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(CH3)(COO)(H)	C(CCCH)2(H)2	C(CN[5]O)(CCHH)(CH3)(H)	C(CCHH)(CH3)(COO)(H)	113.4770	0.000	1	113.4770	0.000	1	114.0020	0.551	2	114.5768	2.726	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]CH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(NHS)(H)	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	114.5768	2.726	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(H)2	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHN)(H)2	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCHH)(CH3)(CCH)(H)	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	114.5768	2.726	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C(CCHN)(CCHP)(H)2	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(NCP)(H)	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	114.5768	2.726	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CC[6a]CH)(CCCO)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(COO)(OH)	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:C-3:	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(COO)2	C(CC[6a]CH)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)2(COO)2	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CC[6a]O)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	115.3517	1.219	4	115.3517	1.485	4	115.3517	1.485	4	115.7022	1.189	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(CH3)(H)	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	115.7022	1.189	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(C[6a]C[6a]2)(NCrCH)(CCHH)(H)	C(NCrCH)(CCHH)(CH3)(H)	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	115.7022	1.189	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	C(CCHH)(CH3)3	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	C(CCHH)(CH3)3	116.5465	0.791	2	116.5465	0.626	2	116.5465	0.626	2	116.5465	0.626	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(C[6a]C[6a]2)(CCHH)(H)2	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	115.8143	12.369	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-3:C-4:Cl-1:Cl-1:	C(CC[6a]CO)(CCl2C)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]O)(CCHH)(Cl)2	C(CC[6a]CO)(CCl2C)(H)2	C(C[6a]C[6a]2)(CBrHH)(CCHH)(OC)	C(CC[6a]O)(CCHH)(Cl)2	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	115.8143	12.369	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-3:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CN[4]O)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CO)(CCHH)(OH)	C(CN[4]O)(CCHH)(H)2	114.3505	3.116	2	114.3505	9.711	2	114.3505	9.711	2	115.8143	12.369	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:2:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CO)(CC[6a]HO)(F)2	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(F)2	C(C[6a]C[6a]2)(CCFF)(CF3)(OH)	C(C[6a]C[6a]2)(CCFF)(OH)(H)	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(OH)	C(CC[5]O)(CCHH)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CC[5]O)(CCHH)(CH3)(OH)	C(CC[5]O)(CCHH)(CH3)(H)	116.1900	1.438	2	116.1900	2.069	2	116.1900	2.069	2	116.1900	2.069	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6]-3:C-4:C-4:O-2:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	116.7510	0.000	1	116.7510	0.000	1	116.7210	0.002	2	118.6185	1.227	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6]-3:C-4:C-4:O-2:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	116.6910	0.000	1	116.6910	0.000	1	116.7210	0.002	2	118.6185	1.227	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	119.3620	0.109	4	119.3620	0.012	4	118.9348	0.687	12	118.6185	1.227	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	119.1830	0.303	2	119.1830	0.092	2	118.9348	0.687	12	118.6185	1.227	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	C(CC[6a]CO)2(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OH)	C(C[6a]C[6a]N[6a])(CCHH)2(OH)	118.5672	1.073	6	118.5672	1.152	6	118.9348	0.687	12	118.6185	1.227	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:3:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C-4:C-4:O-3:	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6]CO)2(H)2	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	117.6330	0.510	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	3:4:4:3:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6]-3:C-4:C-4:O-3:	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C(CC[6a]CO)(CC[6]CO)(H)2	C(C[6a]C[6a]N[6a])(CCHH)(CH3)(OCo)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.6330	0.510	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C(CCFF)(F)3	C(CC[6a]CO)(CF3)(F)2	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C(CCFF)(F)3	115.9805	2.218	2	115.9805	4.920	2	115.9805	4.920	2	114.4724	3.282	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CCHH)(H)3	112.3005	0.135	2	112.3005	0.018	2	113.8692	2.101	5	114.4724	3.282	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CCHH)(H)3	115.0660	0.000	1	115.0660	0.000	1	113.8692	2.101	5	114.4724	3.282	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OH)	C(CCHH)(H)3	114.5650	0.000	1	114.5650	0.000	1	113.8692	2.101	5	114.4724	3.282	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(H)3	C(CC[6a]CO)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(H)3	115.1140	0.000	1	115.1140	0.000	1	113.8692	2.101	5	114.4724	3.282	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-2:	C-4:C-2:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CN)(H)2	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	114.6193	2.428	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(CC[6a]CO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CCHH)(OC)(H)2	C(CC[6a]CO)(CHHO)(H)2	C(C[6a]C[6a]2)(CCHH)(CFHH)(OH)	C(CCHH)(OC)(H)2	115.3210	1.379	2	115.3210	1.901	2	115.3210	1.901	2	114.6193	2.428	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CCHH)(NCC)(H)2	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CCHH)(NCC)(H)2	113.3300	0.730	4	113.3300	0.532	4	113.3300	0.532	4	113.0600	0.622	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C(CCHH)(COO)(H)2	C(CC[6a]C[6]C)(CCHH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C(CCHH)(COO)(H)2	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	113.0600	0.622	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:S-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C(CC[6a]CS)(CCHH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CCHH)(CCO)(H)2	C(CC[6a]CS)(CCHH)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CCHH)(CCO)(H)2	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	113.0600	0.622	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C(CC[6a]CO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(CHO)(OH)(H)	C(CC[6a]CO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(CHO)(OH)(H)	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C(CC[6a]CO)(CCFF)(F)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(CCFF)2(F)2	C(CC[6a]CO)(CCFF)(F)2	C(C[6a]C[6a]2)(CC[6a]CH)(CCFF)(OH)	C(CCFF)2(F)2	118.0625	0.135	2	118.0625	0.018	2	118.0625	0.018	2	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CCCH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CH3)(OH)	C(CCCH)(CCHH)(H)2	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CCHH)2(H)2	114.2525	1.539	2	114.2525	2.370	2	114.2525	2.370	2	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CCHH)(CH3)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCFF)(CCHH)(OH)	C(CCHH)(CH3)(H)2	113.9950	0.000	1	113.9950	0.000	1	114.8598	1.652	4	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(OC)	C(CCHH)2(H)2	115.1470	1.990	2	115.1470	3.959	2	114.8598	1.652	4	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(OH)	C(CCHH)2(H)2	115.1500	0.000	1	115.1500	0.000	1	114.8598	1.652	4	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-4:H-1:H-1:	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CCHH)(NCCH)(H)2	C(CC[6a]CO)(CHHN)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]2H)(CCHH)(OH)	C(CCHH)(NCCH)(H)2	111.0913	1.338	4	111.0913	1.789	4	111.0913	1.789	4	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-2:	N[6]-4:C-4:H-1:H-1:	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]C[6]O)(CN[6]HH)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(OH)	C(N[6]C[6]2H)(CCHH)(H)2	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	113.9369	6.922	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:2:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Si-4:O-2:	C-4:C-4:O-2:H-1:	C(CC[6a]SiO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHH)(SiC3)(OC)	C(CCHH)(CH3)(OC)(H)	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	3:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-3:	N-3:C-4:C-4:C-4:	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(NC[6a]H)(CCHH)(CH3)2	C(CCCN)2(H)2	C(NC[6a]H)(CCHH)(CH3)(CNO)	C(NC[6a]H)(CCHH)(CH3)2	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC[6a]CC)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CCHH)(F)3	C(CC[6a]CC)(CF3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CCHH)(F)3	117.2640	0.127	2	117.2640	0.016	2	117.2640	0.016	2	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:F-1:F-1:H-1:	C(CC[6a]CC)(CFFH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	C(CCHH)(F)2(H)	C(CC[6a]CC)(CFFH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	C(CCHH)(F)2(H)	116.2470	0.000	1	116.2470	0.000	1	116.2470	0.000	1	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CCHH)(H)3	115.4690	0.392	2	115.4690	0.153	2	115.0330	0.647	3	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	C(CCHH)(H)3	114.1610	0.000	1	114.1610	0.000	1	115.0330	0.647	3	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CCHH)(H)3	C(CC[6a]CN)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(NCH)	C(CCHH)(H)3	113.7630	0.000	1	113.7630	0.000	1	113.7630	0.000	1	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(NC[6a]Zn)(CCHH)(CH3)(CCN)	C(CCHH)(H)3	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	115.5506	1.754	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:F-1:F-1:	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CCHH)(CNO)(F)2	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	C(CCHH)(CNO)(F)2	115.7720	0.000	1	115.7720	0.000	1	115.7720	0.000	1	116.2204	0.823	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	C(CCHH)(CNO)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)(COO)	C(CCHH)(CNO)(H)2	114.9460	0.000	1	114.9460	0.000	1	115.7615	1.330	2	116.2204	0.823	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	C(CCHH)(CCC)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CCO)	C(CCHH)(CCC)(H)2	116.5770	0.000	1	116.5770	0.000	1	115.7615	1.330	2	116.2204	0.823	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C(CC[6a]CC)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CCHH)(NCS)(H)2	C(CC[6a]CC)(CHHN)(H)2	C(C[6a]C[6a]2)(CCHH)2(COO)	C(CCHH)(NCS)(H)2	116.9035	0.637	2	116.9035	0.406	2	116.9035	0.406	2	116.2204	0.823	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	C(CCHH)(CH3)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(CCO)	C(CCHH)(CH3)(H)2	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	115.4525	1.669	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CC[6a]CN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CCHH)(CHHO)(H)2	C(CC[6a]CN)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CF3)(NHS)	C(CCHH)(CHHO)(H)2	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	115.4525	1.669	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CC)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(H)2	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	117.1738	1.879	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CC)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CCHH)(H)2	116.9886	0.523	11	116.9886	0.273	11	116.9886	0.273	11	117.1738	1.879	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(H)2	116.1590	0.000	1	116.1590	0.000	1	116.0315	0.033	2	117.1738	1.879	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5a]CC)(H)2	C(N[5a]C[5a]N[5a])(CClHH)(CCHH)(CHHO)	C(C[6a]C[6a]2)(CCHH)(H)2	115.9040	0.000	1	115.9040	0.000	1	116.0315	0.033	2	117.1738	1.879	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CC[6a]O)(CCHH)3	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CC[6a]O)(CCHH)3	C(CCHH)(H)3	115.5707	0.674	3	115.5707	0.454	3	115.5707	0.454	3	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CCHH)(H)3	116.5980	0.484	2	116.5980	0.234	2	115.1755	1.777	23	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(H)3	115.0018	1.412	17	115.0018	1.992	17	115.1755	1.777	23	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CCHH)(H)3	115.8690	0.721	2	115.8690	0.520	2	115.1755	1.777	23	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CCHH)(H)3	114.7740	0.000	1	114.7740	0.000	1	115.1755	1.777	23	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CCHH)(H)3	C(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]CN)(CCHH)(CH3)	C(CCHH)(H)3	114.2980	0.000	1	114.2980	0.000	1	115.1755	1.777	23	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]C)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C(CCHH)(H)3	C(CC[6a]C[6]C)(CH3)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CH3)	C(CCHH)(H)3	114.4020	0.000	1	114.4020	0.000	1	114.4020	0.000	1	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N[5]-4:C-4:B-4:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]B)(CH3)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	C(CCHH)(H)3	C(CC[6a]N[5]B)(CH3)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2H)(CCHH)(BF3)	C(CCHH)(H)3	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	115.1145	1.683	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]O)(CCHH)3	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]O)(CCHH)3	C(CCHH)(CN)(H)2	114.3112	1.368	6	114.3112	1.870	6	114.3112	1.870	6	114.6767	2.494	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C(CC[5a]CC)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(CCHH)(OH)(H)2	C(CC[5a]CC)(CHHO)(H)2	C(C[5a]C[5a]O[5a])(CC[6a]CH)(CCHH)(CHHO)	C(CCHH)(OH)(H)2	116.8700	0.000	1	116.8700	0.000	1	116.8700	0.000	1	114.6767	2.494	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CCO)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CCO)(H)2	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:3:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:N-3:C-3:H-1:	C(CC[6a]CC)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(NNiC)(COO)(H)	C(CC[6a]CC)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(NNiC)(COO)(H)	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[3a]CC)(CCHH)(H)2	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[3a]CC)(CCHH)(H)2	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CCHH)2(H)2	115.6779	0.607	16	115.6779	0.369	16	115.6779	0.369	16	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CCHH)(CHHO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CCHH)(CHHO)(H)2	115.6165	0.158	2	115.6165	0.025	2	115.6165	0.025	2	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:F-1:F-1:	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CCFF)(CCHH)(F)2	C(CC[6a]CC)(CCFF)(H)2	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CH3)	C(CCFF)(CCHH)(F)2	117.5165	1.571	4	117.5165	2.468	4	117.5165	2.468	4	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCCN)(CCHH)(H)2	118.3920	0.000	1	118.3920	0.000	1	115.9779	4.677	7	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CCHS)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CCHS)(H)2	113.2710	0.658	2	113.2710	0.432	2	115.9779	4.677	7	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)2(H)2	118.4340	0.000	1	118.4340	0.000	1	115.9779	4.677	7	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	115.3650	0.000	1	115.3650	0.000	1	115.9779	4.677	7	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)2(CHHN)	C(CCHH)2(H)2	116.5560	0.269	2	116.5560	0.072	2	115.9779	4.677	7	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(NC[6a]H)(CCHH)(CH3)2	C(CC[6a]CC)(CCHH)(H)2	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCP)(CCHH)(H)2	C(PC[6a]C)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CCCP)(CCHH)(H)2	C(PC[6a]C)(CCHH)(CH3)2	C(CCHH)2(H)2	120.4250	1.349	2	120.4250	1.820	2	120.4250	1.820	2	116.3619	3.112	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CMoCN)(CCHH)(CCN)(H)	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CMoCN)(CCHH)(CCN)(H)	118.0590	0.516	2	118.0590	0.266	2	117.3173	1.783	3	117.3173	1.783	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(CCHH)(CH3)(CHO)(H)	C(CC[6a]CC)(CCCH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CH3)	C(CCHH)(CH3)(CHO)(H)	115.8340	0.000	1	115.8340	0.000	1	117.3173	1.783	3	117.3173	1.783	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC[5a]CC)(CC3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CC[5a]CC)(CC3)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	123.7587	0.404	4	123.7587	0.163	4	123.7587	0.163	4	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC[6]CC)(CC3)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CC[6]CC)(CC3)(H)2	C(C[6]C[6]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	124.6460	0.540	3	124.6460	0.292	3	124.6460	0.292	3	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC[6a]CC)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CC[6a]CC)(CC3)(H)2	C(C[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	123.8048	0.621	33	123.8048	0.386	33	123.8048	0.386	33	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(NC[5]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(NC[5]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	126.0510	0.000	1	126.0510	0.000	1	124.4420	0.679	9	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(NC[5a]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(NC[5a]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	124.0045	0.334	2	124.0045	0.112	2	124.4420	0.679	9	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(NC[6a]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(NC[6a]H)(CCHH)(CH3)2	C(CCHH)(CH3)3	124.3197	0.672	6	124.3197	0.451	6	124.4420	0.679	9	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N[3]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CN[3]CC)(CC3)(H)2	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CN[3]CC)(CC3)(H)2	C(N[3]Si[3]C[3])(CCHH)(CH3)2	C(CCHH)(CH3)3	123.8630	0.000	1	123.8630	0.000	1	123.8630	0.000	1	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CN[5]CC)(CC3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CN[5]CC)(CC3)(H)2	C(N[5]C[5]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N[5a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CN[5a]CC)(CC3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CN[5a]CC)(CC3)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CH3)2	C(CCHH)(CH3)3	123.5207	0.627	3	123.5207	0.393	3	123.5207	0.393	3	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N[6a]-3:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CN[6a]CC)(CC3)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	C(CN[6a]CC)(CC3)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)2	C(CCHH)(CH3)3	123.9940	0.182	2	123.9940	0.033	2	123.9940	0.033	2	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	3:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	Si[4a]-3:C-4:Si-4:Si-4:	C-4:C-4:C-4:C-4:	C(CSi[4a]Si2)(CC3)(H)2	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	C(CCHH)(CH3)3	C(CSi[4a]Si2)(CC3)(H)2	C(Si[4a]C[4a,6a]Si[4a])(CCHH)(SiC3)2	C(CCHH)(CH3)3	124.1053	0.719	3	124.1053	0.518	3	124.1053	0.518	3	123.9548	0.446	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)2(Cl)(H)	C(CClCH)(Cl)(H)2	C(CClCH)(Cl)(H)2	C(CClHH)2(Cl)(H)	C(CClCH)(Cl)(H)2	C(CClCH)(Cl)(H)2	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:I-1:	C-4:F-1:F-1:F-1:	C(CFFI)(CF3)(F)2	C(CCFF)(F)2(I)	C(CCFF)(F)3	C(CFFI)(CF3)(F)2	C(CCFF)(F)2(I)	C(CCFF)(F)3	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(H)2	C(CCHH)(H)3	C(CCHH)(H)3	C(CH3)2(H)2	C(CCHH)(H)3	C(CCHH)(H)3	111.5168	1.934	6	111.5168	3.741	6	111.5168	3.741	6	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(H)2(O)	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(H)2(O)	C(CCHH)(H)3	101.9854	14.702	3	101.9854	216.149	3	101.9854	216.149	3	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:H-1:O-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(H)(O)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(H)(O)	C(CCHO)(F)3	C(CCHO)(F)3	111.4248	0.901	4	111.4248	0.812	4	111.4248	0.812	4	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(H)(O)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(H)(O)	C(CCHO)(H)3	C(CCHO)(H)3	111.1661	3.565	8	111.1661	12.706	8	111.1661	12.706	8	110.5397	38.198	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(Cl)(H)2	C(CClCH)(OC)(H)2	C(CClHH)(CHHO)(Cl)(H)	C(CClCH)(Cl)(H)2	C(CClCH)(OC)(H)2	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	114.3633	1.469	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:Cl-1:F-1:F-1:	C-4:O-2:H-1:H-1:	C(CClFF)(CHHO)(F)2	C(CCFF)(Cl)(F)2	C(CCFF)(OC)(H)2	C(CClFF)(CHHO)(F)2	C(CCFF)(Cl)(F)2	C(CCFF)(OC)(H)2	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	114.3633	1.469	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	C(CCHH)(OC)(H)2	C(CBrHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	C(CCHH)(OC)(H)2	115.5550	0.000	1	115.5550	0.000	1	115.5550	0.000	1	114.3633	1.469	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:Br-1:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CBrFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	C(CCFF)2(F)2	C(CBrFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	C(CCFF)2(F)2	115.1030	0.332	6	115.1030	0.110	6	115.1030	0.110	6	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFH)(F)2	C(CCFF)(F)2(H)	C(CCFF)2(F)2	C(CCFF)(CFFH)(F)2	C(CCFF)(F)2(H)	C(CCFF)2(F)2	115.5055	2.956	2	115.5055	8.740	2	115.5055	8.740	2	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:I-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFI)(F)2	C(CCFF)(F)2(I)	C(CCFF)2(F)2	C(CCFF)(CFFI)(F)2	C(CCFF)(F)2(I)	C(CCFF)2(F)2	115.3229	0.462	18	115.3229	0.213	18	115.3229	0.213	18	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CCHH)2(H)2	112.7530	2.464	31	112.7530	6.071	31	112.7530	6.071	31	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(C)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(C)(H)2	C(CCHH)2(H)2	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CCHH)2(H)2	112.3804	1.612	10	112.3804	2.600	10	112.3804	2.600	10	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHI)(H)2	C(CCHH)(H)2(I)	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(H)2(I)	C(CCHH)2(H)2	113.8230	1.427	3	113.8230	2.036	3	113.8230	2.036	3	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:1:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:S-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(H)2(S)	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(H)2(S)	C(CCHH)2(H)2	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	113.7646	5.306	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHO)(CF3)(F)2	C(CCFF)(OC)(H)2	C(CCFF)(F)3	C(CHHO)(CF3)(F)2	C(CCFF)(OC)(H)2	C(CCFF)(F)3	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:H-1:	C(CFFH)(CHHO)(F)2	C(CCFF)(OC)(H)2	C(CCFF)(F)2(H)	C(CFFH)(CHHO)(F)2	C(CCFF)(OC)(H)2	C(CCFF)(F)2(H)	114.5444	0.225	5	114.5444	0.050	5	114.5444	0.050	5	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(H)3	115.2070	2.015	2	115.2070	4.061	2	112.6921	4.094	10	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(H)3	112.0634	1.557	8	112.0634	2.425	8	112.6921	4.094	10	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)(H)2	C(CCHH)(H)2(O)	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)(H)2	C(CCHH)(H)2(O)	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(H)3	112.3213	1.063	12	112.3213	1.130	12	112.3662	1.062	13	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NP)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NP)(H)2	C(CCHH)(H)3	112.9040	0.000	1	112.9040	0.000	1	112.3662	1.062	13	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(H)3	113.0273	6.427	59	113.0273	41.303	59	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OFe)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OFe)(H)2	C(CCHH)(H)3	133.1180	28.518	2	133.1180	813.254	2	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(H)3	112.3259	4.943	35	112.3259	24.436	35	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(ON)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(ON)(H)2	C(CCHH)(H)3	112.9645	0.057	2	112.9645	0.003	2	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(H)3	113.2372	12.539	7	113.2372	157.228	7	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(ORe)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(ORe)(H)2	C(CCHH)(H)3	118.0060	0.000	1	118.0060	0.000	1	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(H)3	113.2940	0.000	1	113.2940	0.000	1	113.2350	54.982	107	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHS)(CF3)(H)2	C(CCHH)(SS)(H)2	C(CCHH)(F)3	C(CHHS)(CF3)(H)2	C(CCHH)(SS)(H)2	C(CCHH)(F)3	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(H)3	113.2735	2.232	4	113.2735	4.980	4	112.9870	4.145	5	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SN)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SN)(H)2	C(CCHH)(H)3	111.8410	0.000	1	111.8410	0.000	1	112.9870	4.145	5	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:H-1:N-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)(N)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(H)(N)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	109.7780	2.667	7	109.7780	7.113	7	109.7780	7.113	7	113.0476	40.815	150	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(F)2	C(CCFF)(SC)(H)2	C(CCFF)(SC)(H)2	C(CHHS)2(F)2	C(CCFF)(SC)(H)2	C(CCFF)(SC)(H)2	118.3915	0.473	2	118.3915	0.224	2	118.3915	0.224	2	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(OC)(H)2	114.4980	0.000	1	114.4980	0.000	1	115.0085	0.521	2	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(OH)(H)2	115.5190	0.000	1	115.5190	0.000	1	115.0085	0.521	2	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NC)(H)2	C(CCHH)(NC)(H)2	113.1128	1.062	18	113.1128	1.128	18	113.1128	1.128	18	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NH)(H)2	C(CCHH)(OH)(H)2	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(OC)(H)2	C(CCHH)(OC)(H)2	C(CHHO)2(H)2	C(CCHH)(OC)(H)2	C(CCHH)(OC)(H)2	114.1533	1.467	12	114.1533	2.153	12	113.5717	2.736	30	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(OH)(H)2	C(CCHH)(OH)(H)2	C(CHHO)2(H)2	C(CCHH)(OH)(H)2	C(CCHH)(OH)(H)2	111.9662	0.859	5	111.9662	0.737	5	113.5717	2.736	30	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(ON)(H)2	C(CCHH)(ON)(H)2	C(CHHO)2(H)2	C(CCHH)(ON)(H)2	C(CCHH)(ON)(H)2	113.6109	1.038	9	113.6109	1.077	9	113.5717	2.736	30	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(OP)(H)2	C(CCHH)(OP)(H)2	C(CHHO)2(H)2	C(CCHH)(OP)(H)2	C(CCHH)(OP)(H)2	113.7455	3.001	4	113.7455	9.008	4	113.5717	2.736	30	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHO)(CHHS)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(SC)(H)2	C(CHHO)(CHHS)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(SC)(H)2	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SC)(H)2	C(CCHH)(SC)(H)2	C(CHHS)2(H)2	C(CCHH)(SC)(H)2	C(CCHH)(SC)(H)2	113.7371	2.720	41	113.7371	7.397	41	113.6390	7.353	49	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SFe)(H)2	C(CCHH)(SFe)(H)2	C(CHHS)2(H)2	C(CCHH)(SFe)(H)2	C(CCHH)(SFe)(H)2	115.7835	0.303	2	115.7835	0.092	2	113.6390	7.353	49	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SNi)(H)2	C(CCHH)(SNi)(H)2	C(CHHS)2(H)2	C(CCHH)(SNi)(H)2	C(CCHH)(SNi)(H)2	113.0370	0.000	1	113.0370	0.000	1	113.6390	7.353	49	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SP)(H)2	C(CCHH)(SP)(H)2	C(CHHS)2(H)2	C(CCHH)(SP)(H)2	C(CCHH)(SP)(H)2	107.0760	0.000	1	107.0760	0.000	1	113.6390	7.353	49	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SV)(H)2	C(CCHH)(SV)(H)2	C(CHHS)2(H)2	C(CCHH)(SV)(H)2	C(CCHH)(SV)(H)2	113.3522	1.100	4	113.3522	1.211	4	113.6390	7.353	49	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CSeHH)(CHHS)(H)2	C(CCHH)(SeC)(H)2	C(CCHH)(SC)(H)2	C(CSeHH)(CHHS)(H)2	C(CCHH)(SeC)(H)2	C(CCHH)(SC)(H)2	113.7655	0.124	2	113.7655	0.015	2	113.7655	0.015	2	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)2(H)2	C(CCHH)(SeC)(H)2	C(CCHH)(SeC)(H)2	C(CSeHH)2(H)2	C(CCHH)(SeC)(H)2	C(CCHH)(SeC)(H)2	114.1276	2.702	22	114.1276	7.298	22	114.0278	7.196	23	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)2(H)2	C(CCHH)(SeP)(H)2	C(CCHH)(SeP)(H)2	C(CSeHH)2(H)2	C(CCHH)(SeP)(H)2	C(CCHH)(SeP)(H)2	111.8320	0.000	1	111.8320	0.000	1	114.0278	7.196	23	113.6927	5.307	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COs)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COs)(H)2	C(CCHH)(NCH)(H)2	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	C(CBrCH)2(Br)(H)	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)(OC)(H)2	C(CBrCH)2(Br)(H)	113.0705	3.689	2	113.0705	13.609	2	113.0705	13.609	2	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	C(CClCH)2(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	C(CClCH)2(Cl)(H)	113.0027	3.075	3	113.0027	9.454	3	113.0027	9.454	3	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(OC)(H)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OC)(H)2	C(CCFF)2(F)2	111.8330	0.000	1	111.8330	0.000	1	113.3051	0.255	18	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(OH)(H)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OH)(H)2	C(CCFF)2(F)2	113.4271	0.336	16	113.4271	0.113	16	113.3051	0.255	18	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(ON)(H)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(ON)(H)2	C(CCFF)2(F)2	112.8260	0.000	1	112.8260	0.000	1	113.3051	0.255	18	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:H-1:	C(CCFH)(CHHO)(F)(H)	C(CCFH)(OS)(H)2	C(CCFH)2(F)(H)	C(CCFH)(CHHO)(F)(H)	C(CCFH)(OS)(H)2	C(CCFH)2(F)(H)	112.1540	0.000	1	112.1540	0.000	1	112.1540	0.000	1	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	113.7623	1.546	42	113.7623	2.390	42	112.9812	8.942	61	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	117.7390	0.000	1	117.7390	0.000	1	112.9812	8.942	61	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	110.8943	4.283	18	110.8943	18.344	18	112.9812	8.942	61	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	C(CCHH)2(H)2	113.1388	0.697	26	113.1388	0.486	26	112.9894	0.755	28	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NN)(H)2	C(CCHH)2(H)2	111.0465	0.330	2	111.0465	0.109	2	112.9894	0.755	28	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)2(H)2	113.3426	2.244	117	113.3426	5.034	117	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)2(H)2	114.1253	3.443	60	114.1253	11.858	60	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	C(CCHH)2(H)2	112.7056	1.905	11	112.7056	3.630	11	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	C(CCHH)2(H)2	112.6160	1.656	18	112.6160	2.741	18	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	C(CCHH)2(H)2	112.7670	0.000	1	112.7670	0.000	1	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)2(H)2	112.1790	0.000	1	112.1790	0.000	1	113.4635	6.840	208	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:I-1:	C(CCHI)(CHHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)2(H)(I)	C(CCHI)(CHHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)2(H)(I)	115.5053	0.745	3	115.5053	0.556	3	115.5053	0.556	3	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	C(CCHH)2(H)2	113.1595	1.976	33	113.1595	3.904	33	113.1545	3.787	34	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SH)(H)2	C(CCHH)2(H)2	112.9910	0.000	1	112.9910	0.000	1	113.1545	3.787	34	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeC)(H)2	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeC)(H)2	C(CCHH)2(H)2	114.3585	3.543	6	114.3585	12.549	6	114.4886	10.576	7	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeMg)(H)2	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(SeMg)(H)2	C(CCHH)(CH3)(H)2	115.2690	0.000	1	115.2690	0.000	1	114.4886	10.576	7	113.3368	6.154	365	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	C(CClCH)2(OC)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	C(CClCH)2(OC)(H)	114.8545	0.067	2	114.8545	0.005	2	114.0533	1.928	3	114.2972	1.523	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	C(CClCH)2(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(OH)(H)2	C(CClCH)2(OH)(H)	112.4510	0.000	1	112.4510	0.000	1	114.0533	1.928	3	114.2972	1.523	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)2(OH)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)2(OH)(H)	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	114.2972	1.523	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(CCO)2	114.0070	0.000	1	114.0070	0.000	1	113.0130	1.976	2	113.0130	1.976	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(COO)2	112.0190	0.000	1	112.0190	0.000	1	113.0130	1.976	2	113.0130	1.976	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(OH)(H)2	C(CClCH)(CH3)3	C(CHHO)(CC3)(Cl)(H)	C(CClCH)(OH)(H)2	C(CClCH)(CH3)3	114.9617	0.620	3	114.9617	0.384	3	114.9617	0.384	3	114.9617	0.384	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CC)(CN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CC)(CN)(H)	C(CCHH)(H)3	112.8230	1.041	2	112.8230	1.083	2	112.8230	1.083	2	112.8230	1.083	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OC)(H)	C(CCHH)2(H)2	113.6240	0.000	1	113.6240	0.000	1	113.9950	0.170	3	113.8827	0.181	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	114.1805	0.366	2	114.1805	0.134	2	113.9950	0.170	3	113.8827	0.181	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(ON)(H)	C(CCHH)(CC3)(H)2	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)(ON)(H)	C(CCHH)(CC3)(H)2	113.4600	0.000	1	113.4600	0.000	1	113.7703	0.246	3	113.8827	0.181	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)2(H)	C(CCHH)2(H)2	C(CCHH)(CHOO)(H)2	C(CCHH)(OC)2(H)	C(CCHH)2(H)2	113.9255	0.589	2	113.9255	0.347	2	113.7703	0.246	3	113.8827	0.181	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:2:1:	4:4:4:1:	C-4:C-4:Cl-1:Cl-1:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(Cl)2	C(CCl2C)(CC)(OH)(H)	C(CCl2C)(CH3)2(H)	C(CCCH)(CCHO)(Cl)2	C(CCl2C)(CC)(OH)(H)	C(CCl2C)(CH3)2(H)	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHS)(H)2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHS)(H)2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CBrCH)(OC[5])(CCHH)(H)	C(CCHH)(H)3	112.4430	3.031	5	112.4430	9.188	5	112.7033	6.442	7	112.7033	6.442	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCo2C)(OC[5])(CCHH)(H)	C(CCHH)(H)3	113.3540	0.846	2	113.3540	0.715	2	112.7033	6.442	7	112.7033	6.442	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CCHH)(OH)(H)2	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C(CCHH)(OH)(H)2	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:3:1:1:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CBrCH)(CCH)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CBrCH)(CCH)(H)2	114.3563	1.689	3	114.3563	2.854	3	114.3563	2.854	3	114.9087	2.180	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHS)(H)2	C(CN[6]CH)(SC[6a])(CCHH)(H)	C(CCHH)(CCH)(H)2	116.2690	0.000	1	116.2690	0.000	1	116.2690	0.000	1	114.9087	2.180	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:Se-2:C-4:H-1:	C-4:C-3:Cl-1:H-1:	C(CC[5]SeH)(CClCH)(H)2	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C(CCHH)(CCO)(Cl)(H)	C(CC[5]SeH)(CClCH)(H)2	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C(CCHH)(CCO)(Cl)(H)	115.0570	1.544	2	115.0570	2.385	2	115.0570	2.385	2	114.9087	2.180	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CBrCH)(CH3)(H)2	116.0770	0.000	1	116.0770	0.000	1	115.4760	1.727	3	114.7958	1.906	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CC[5]HO)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(OC[5])(CCHH)(H)	C(CC[5]HO)(CBrCH)(H)2	115.1755	1.706	2	115.1755	2.911	2	115.4760	1.727	3	114.7958	1.906	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CC[6a]HN)(SC[6a])(CCHH)(H)	C(CCHH)2(H)2	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	114.7958	1.906	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:S-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.7958	1.906	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	P-4:S-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CHPS)(CC3)(H)2	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CCHH)(CH3)3	C(CHPS)(CC3)(H)2	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CCHH)(CH3)3	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-2:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCOO)(H)2	C(CC[6a]HH)(OC[6a])(CCHH)(OC)	C(CC[6a]HH)(CCHH)(H)2	115.4220	0.000	1	115.4220	0.000	1	115.4220	0.000	1	115.4220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CCHH)(CCH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(OC[6])(CCHH)(CH3)	C(CCHH)(CCH)(H)2	118.7438	0.541	4	118.7438	0.292	4	118.7438	0.292	4	118.7438	0.292	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:4:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:O-2:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(OC[6])(CH3)2	C(CC[6]HH)(CBrCH)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(OC[6])(CH3)2	C(CC[6]HH)(CBrCH)(H)2	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	117.5393	1.837	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:2:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:O-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	C(C[3]C[3]2H)(CCHH)(H)2	118.2445	0.831	2	118.2445	0.690	2	118.2445	0.690	2	117.5393	1.837	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(NCC)(H)2	C(CClCH)(H)3	C(CHHN)(CH3)(Cl)(H)	C(CClCH)(NCC)(H)2	C(CClCH)(H)3	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CCC)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CCC)(F)2	C(CCFF)(F)3	116.1005	0.057	2	116.1005	0.003	2	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CCO)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CCO)(F)2	C(CCFF)(F)3	116.8057	1.218	7	116.8057	1.483	7	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CMoO)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CMoO)(F)2	C(CCFF)(F)3	117.0090	0.000	2	117.0090	0.000	2	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CNN)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CNN)(F)2	C(CCFF)(F)3	115.1360	1.068	51	115.1360	1.140	51	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CNO)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CNO)(F)2	C(CCFF)(F)3	115.8107	0.545	4	115.8107	0.297	4	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(COO)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(COO)(F)2	C(CCFF)(F)3	117.1495	0.370	6	117.1495	0.137	6	115.5825	1.517	72	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(H)2	C(CCHH)(COO)(Cl)(H)	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	C(CCHH)(COO)(Cl)(H)	C(CCHH)(H)3	114.9000	0.000	1	114.9000	0.000	1	114.9000	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:H-1:	C-4:F-1:H-1:H-1:	C(CCFH)(CFHH)(H)2	C(CCHH)(CCH)(F)(H)	C(CCHH)(F)(H)2	C(CCFH)(CFHH)(H)2	C(CCHH)(CCH)(F)(H)	C(CCHH)(F)(H)2	112.3845	0.367	2	112.3845	0.135	2	112.3845	0.135	2	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(Br)(H)2	114.0390	1.399	2	114.0390	1.956	2	112.8307	5.358	3	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(Br)(H)2	110.4140	0.000	1	110.4140	0.000	1	112.8307	5.358	3	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(Cl)(H)2	114.0940	0.000	1	114.0940	0.000	1	113.4299	0.718	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(Cl)(H)2	113.3884	0.857	16	113.3884	0.734	16	113.4299	0.718	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CCHH)(CFHH)(H)2	C(CCHH)(CClC)(H)2	C(CCHH)(F)(H)2	C(CCHH)(CFHH)(H)2	C(CCHH)(CClC)(H)2	C(CCHH)(F)(H)2	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CAuC)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CAuC)(H)2	C(CCHH)(H)3	109.2760	0.000	1	109.2760	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CBC)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CBC)(H)2	C(CCHH)(H)3	112.0723	1.850	3	112.0723	3.423	3	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(H)3	113.0629	2.074	16	113.0629	4.302	16	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCF)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCF)(H)2	C(CCHH)(H)3	111.3760	0.000	1	111.3760	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(H)3	114.3933	3.905	30	114.3933	15.253	30	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(H)3	111.8323	0.667	4	111.8323	0.445	4	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(H)3	115.4878	6.687	13	115.4878	44.716	13	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCP)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCP)(H)2	C(CCHH)(H)3	114.7513	3.078	3	114.7513	9.475	3	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCS)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCS)(H)2	C(CCHH)(H)3	110.5310	0.000	1	110.5310	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(H)3	116.2338	16.361	19	116.2338	267.682	19	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(H)3	113.4394	0.835	7	113.4394	0.697	7	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHO)(H)2	C(CCHH)(H)3	119.9660	0.000	1	119.9660	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHP)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHP)(H)2	C(CCHH)(H)3	113.8415	0.578	2	113.8415	0.334	2	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	C(CCHH)(H)3	112.8320	0.588	2	112.8320	0.346	2	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(H)3	112.5558	1.948	32	112.5558	3.794	32	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CNS)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CNS)(H)2	C(CCHH)(H)3	113.4640	1.400	2	113.4640	1.960	2	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(H)3	112.4007	1.818	18	112.4007	3.304	18	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CPtO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CPtO)(H)2	C(CCHH)(H)3	112.9190	0.000	1	112.9190	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CRuO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CRuO)(H)2	C(CCHH)(H)3	111.2940	0.000	1	111.2940	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CSeC)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CSeC)(H)2	C(CCHH)(H)3	110.9090	0.000	1	110.9090	0.000	1	113.6963	41.032	158	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(H)2(O)	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(H)2(O)	103.3728	7.286	16	103.3728	53.086	16	103.3728	53.086	16	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:Ga-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGaHH)(CH3)(H)2	C(CCHH)(GaCC)(H)2	C(CCHH)(H)3	C(CGaHH)(CH3)(H)2	C(CCHH)(GaCC)(H)2	C(CCHH)(H)3	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(Br)(H)2	110.9460	0.000	1	110.9460	0.000	1	112.2150	3.221	2	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(Br)(H)2	113.4840	0.000	1	113.4840	0.000	1	112.2150	3.221	2	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-1:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(C)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(C)(H)2	113.4110	0.000	1	113.4110	0.000	1	113.4110	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(Cl)(H)2	114.8615	3.176	4	114.8615	10.086	4	115.0977	6.272	6	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(Cl)(H)2	115.5700	0.656	2	115.5700	0.431	2	115.0977	6.272	6	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(H)3	112.0937	3.384	90	112.0937	11.454	90	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(H)3	112.5878	3.692	78	112.5878	13.632	78	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCP)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCP)(H)2	C(CCHH)(H)3	109.9363	1.388	6	109.9363	1.927	6	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(H)3	111.3024	1.248	10	111.3024	1.558	10	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(H)3	112.7770	0.000	1	112.7770	0.000	1	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(H)3	114.5291	1.332	21	114.5291	1.775	21	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(H)3	110.8983	4.068	4	110.8983	16.548	4	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NHP)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NHP)(H)2	C(CCHH)(H)3	113.0983	1.335	3	113.0983	1.783	3	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(H)3	113.9619	1.137	7	113.9619	1.293	7	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(H)3	111.6165	1.592	2	111.6165	2.534	2	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NOsC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NOsC)(H)2	C(CCHH)(H)3	113.3792	1.941	4	113.3792	3.769	4	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)(H)3	110.6360	1.138	3	110.6360	1.296	3	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(H)3	111.9830	0.000	1	111.9830	0.000	1	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)(H)3	113.9700	0.000	1	113.9700	0.000	1	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NRuC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NRuC)(H)2	C(CCHH)(H)3	111.4790	0.474	6	111.4790	0.225	6	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NSS)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NSS)(H)2	C(CCHH)(H)3	110.9480	0.000	1	110.9480	0.000	1	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(H)3	111.7558	0.878	5	111.7558	0.771	5	112.4059	9.995	243	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OCoH)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OCoH)(H)2	C(CCHH)(H)3	119.4875	7.881	2	119.4875	62.106	2	117.1843	46.966	3	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OVV)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OVV)(H)2	C(CCHH)(H)3	112.5780	0.000	1	112.5780	0.000	1	117.1843	46.966	3	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(F)(H)2	C(CFHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(F)(H)2	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(H)3	112.4940	0.249	3	112.4940	0.062	3	112.4940	0.062	3	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHS)(CF3)(H)2	C(CCHH)(SCS)(H)2	C(CCHH)(F)3	C(CHHS)(CF3)(H)2	C(CCHH)(SCS)(H)2	C(CCHH)(F)3	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SCO)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SCO)(H)2	C(CCHH)(H)3	111.6700	0.000	1	111.6700	0.000	1	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SCuC)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SCuC)(H)2	C(CCHH)(H)3	111.7555	0.725	6	111.7555	0.526	6	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(H)3	111.2390	0.000	1	111.2390	0.000	1	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SMn2)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SMn2)(H)2	C(CCHH)(H)3	111.4080	0.000	1	111.4080	0.000	1	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SReC)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SReC)(H)2	C(CCHH)(H)3	112.2810	1.067	3	112.2810	1.139	3	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SRu2)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SRu2)(H)2	C(CCHH)(H)3	111.9370	0.741	3	111.9370	0.548	3	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SRuC)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SRuC)(H)2	C(CCHH)(H)3	112.3500	2.390	2	112.3500	5.712	2	111.8944	0.839	17	113.0142	22.252	549	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CN)(H)2	112.3920	0.000	1	112.3920	0.000	1	112.9970	3.557	4	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CC)(H)2	115.0670	0.000	1	115.0670	0.000	1	112.9970	3.557	4	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(COs)(H)2	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(COs)(H)2	113.8370	0.000	1	113.8370	0.000	1	112.9970	3.557	4	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CC)(H)2	110.6920	0.000	1	110.6920	0.000	1	112.9970	3.557	4	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NN)(H)2	110.7450	0.000	1	110.7450	0.000	1	110.7450	0.000	1	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(OSi)(H)2	115.0390	0.000	1	115.0390	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(OAl)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(OAl)(H)2	116.5590	0.000	1	116.5590	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(OC)(H)2	115.1710	0.000	1	115.1710	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCI)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCI)(H)2	C(CCHH)(OS)(H)2	112.5420	0.000	1	112.5420	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(OS)(H)2	115.8610	0.000	1	115.8610	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(OIr)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(OIr)(H)2	88.3384	0.000	1	88.3384	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(OH)(H)2	112.0198	0.607	8	112.0198	0.369	8	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(OC)(H)2	114.0480	0.000	1	114.0480	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CReC)(H)2	C(CCHH)(ORe)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CReC)(H)2	C(CCHH)(ORe)(H)2	110.1690	0.000	1	110.1690	0.000	1	111.4928	41.411	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(SC)(H)2	113.4090	0.000	1	113.4090	0.000	1	113.0706	0.620	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(SS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(SS)(H)2	113.2865	1.201	2	113.2865	1.443	2	113.0706	0.620	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(SS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(SS)(H)2	112.6855	0.729	2	112.6855	0.531	2	113.0706	0.620	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CC)(H)2	112.8101	1.352	23	112.8101	1.828	23	112.7593	1.811	24	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CC)(H)2	111.5910	0.000	1	111.5910	0.000	1	112.7593	1.811	24	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NC)(H)2	113.0655	0.354	2	113.0655	0.126	2	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NC)(H)2	113.9812	2.710	6	113.9812	7.342	6	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCW)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCW)(H)2	C(CCHH)(NC)(H)2	112.2370	0.000	1	112.2370	0.000	1	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NH)(H)2	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NH)(H)2	114.1450	0.000	1	114.1450	0.000	1	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(NN)(H)2	112.4900	0.000	1	112.4900	0.000	1	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NC)(H)2	115.0820	0.000	1	115.0820	0.000	1	113.6643	3.983	12	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(OC)(H)2	111.9447	1.287	7	111.9447	1.656	7	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(OH)(H)2	112.7170	2.041	6	112.7170	4.165	6	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(OC)(H)2	113.4364	1.420	10	113.4364	2.015	10	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(OH)(H)2	116.4407	7.785	6	116.4407	60.611	6	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(OC)(H)2	114.1940	0.000	1	114.1940	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(OC)(H)2	114.5810	0.000	1	114.5810	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(OC)(H)2	111.6730	0.000	1	111.6730	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OC)(H)2	114.5055	1.015	2	114.5055	1.030	2	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(OH)(H)2	111.5580	1.410	2	111.5580	1.988	2	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NHP)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NHP)(H)2	C(CCHH)(OC)(H)2	114.1440	0.000	1	114.1440	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(OC)(H)2	111.9297	0.813	3	111.9297	0.662	3	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	C(CCHH)(OC)(H)2	111.9830	0.123	2	111.9830	0.015	2	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(OC)(H)2	113.9690	0.000	1	113.9690	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(OZn)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(OZn)(H)2	115.3570	0.000	1	115.3570	0.000	1	113.3801	10.671	44	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(SC)(H)2	112.9394	1.424	8	112.9394	2.028	8	112.3529	2.162	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(SS)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(SS)(H)2	111.9303	0.541	4	111.9303	0.292	4	112.3529	2.162	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)(SC)(H)2	111.6028	1.970	4	111.6028	3.881	4	112.3529	2.162	16	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHS)(H)2	C(CCHH)(SMoC)(H)2	C(CCHH)(OMo)(H)2	C(CHHO)(CHHS)(H)2	C(CCHH)(SMoC)(H)2	C(CCHH)(OMo)(H)2	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(SFe)(H)2	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(SFe)(H)2	114.4260	0.000	1	114.4260	0.000	1	113.8706	0.271	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SMo2)(H)2	C(CCHH)(SMo)(H)2	C(CHHS)2(H)2	C(CCHH)(SMo2)(H)2	C(CCHH)(SMo)(H)2	114.1350	0.044	2	114.1350	0.002	2	113.8706	0.271	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SRe2)(H)2	C(CCHH)(SRe)(H)2	C(CHHS)2(H)2	C(CCHH)(SRe2)(H)2	C(CCHH)(SRe)(H)2	113.3285	0.214	2	113.3285	0.046	2	113.8706	0.271	5	112.9015	10.048	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:F-1:F-1:	C(CClCH)(CCFF)(F)2	C(CCFF)(CCO)(Cl)(H)	C(CCFF)(CCF)(F)2	C(CClCH)(CCFF)(F)2	C(CCFF)(CCO)(Cl)(H)	C(CCFF)(CCF)(F)2	112.5400	0.287	2	112.5400	0.082	2	112.5400	0.082	2	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:H-1:	C-4:C-3:F-1:F-1:	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCF)(F)2	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCF)(F)2	117.5760	0.000	1	117.5760	0.000	1	117.2320	0.102	3	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:H-1:	C-4:C-3:F-1:F-1:	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCO)(F)2	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CCO)(F)2	117.1750	0.000	1	117.1750	0.000	1	117.2320	0.102	3	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:H-1:	C-4:C-3:F-1:F-1:	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CClC)(F)2	C(CCFF)(CCFH)(F)2	C(CCFF)(CCO)(F)(H)	C(CCFF)(CClC)(F)2	116.9450	0.000	1	116.9450	0.000	1	117.2320	0.102	3	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:D-1:H-1:	C-4:C-3:H-1:H-1:	C(CCDH)(CCHH)(H)2	C(CCHH)(CCO)(D)(H)	C(CCHH)(CCH)(H)2	C(CCDH)(CCHH)(H)2	C(CCHH)(CCO)(D)(H)	C(CCHH)(CCH)(H)2	115.4790	0.000	1	115.4790	0.000	1	115.4790	0.000	1	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CCH)(H)2	115.9830	0.000	1	115.9830	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CCO)(H)2	113.2640	1.209	2	113.2640	1.462	2	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCH)(H)2	115.5070	0.000	1	115.5070	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCN)(H)2	109.5220	0.000	1	109.5220	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCO)(H)2	113.7148	0.561	5	113.7148	0.315	5	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCP)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CCP)(H)2	112.9920	0.000	1	112.9920	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CNO)(H)2	114.2210	0.000	1	114.2210	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(COO)(H)2	113.3080	0.985	4	113.3080	0.969	4	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CCO)(H)2	114.2000	0.772	2	114.2000	0.596	2	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CNO)(H)2	112.4330	0.000	1	112.4330	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNN)(H)2	C(CCHH)(CNN)(H)2	C(CCHH)2(H)2	C(CCHH)(CNN)(H)2	C(CCHH)(CNN)(H)2	110.2611	1.139	10	110.2611	1.296	10	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(CNO)(H)2	112.2973	1.084	3	112.2973	1.176	3	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(COO)(H)2	112.1497	0.457	4	112.1497	0.209	4	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)(COO)(H)2	111.8306	1.673	98	111.8306	2.799	98	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	C(CCHH)(COS)(H)2	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	C(CCHH)(COS)(H)2	112.4620	0.000	1	112.4620	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COsC)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(COsC)(H)2	C(CCHH)(CNO)(H)2	112.5170	0.000	1	112.5170	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	C(CCHH)(CReC)(H)2	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	C(CCHH)(CReC)(H)2	112.9553	1.036	3	112.9553	1.074	3	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CSeC)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CSeC)(H)2	C(CCHH)(CHH)(H)2	112.3200	0.000	1	112.3200	0.000	1	112.0076	2.921	140	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NCC)(H)2	111.5850	0.480	3	111.5850	0.231	3	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NCS)(H)2	112.9699	1.630	7	112.9699	2.656	7	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(NCH)(H)2	111.3645	3.758	2	111.3645	14.125	2	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(NCC)(H)2	113.1377	1.399	6	113.1377	1.957	6	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(NCH)(H)2	113.3060	0.482	2	113.3060	0.233	2	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NCH)(H)2	112.0220	1.508	8	112.0220	2.274	8	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NCC)(H)2	111.3925	0.107	2	111.3925	0.011	2	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NCH)(H)2	112.4858	1.687	13	112.4858	2.845	13	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NHS)(H)2	111.5835	0.214	2	111.5835	0.046	2	112.4034	2.422	45	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(CCH)(H)2	108.1950	0.000	1	108.1950	0.000	1	112.1920	15.224	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(CHN)(H)2	115.5390	0.137	2	115.5390	0.019	2	112.1920	15.224	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(CCH)(H)2	109.4950	0.000	1	109.4950	0.000	1	112.1920	15.224	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NAlC)(H)2	C(CCHH)(NAlC)(H)2	C(CHHN)2(H)2	C(CCHH)(NAlC)(H)2	C(CCHH)(NAlC)(H)2	114.4137	1.083	4	114.4137	1.174	4	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NAuC)(H)2	C(CCHH)(NAuC)(H)2	C(CHHN)2(H)2	C(CCHH)(NAuC)(H)2	C(CCHH)(NAuC)(H)2	120.2630	6.842	2	120.2630	46.812	2	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCC)(H)2	113.2074	2.485	36	113.2074	6.174	36	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCH)(H)2	113.5542	1.847	25	113.5542	3.412	25	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCW)(H)2	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NCW)(H)2	115.5600	0.000	1	115.5600	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(NHS)(H)2	112.2640	0.000	1	112.2640	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NCH)(H)2	113.2970	2.034	35	113.2970	4.136	35	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NHH)(H)2	118.1720	0.000	1	118.1720	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NHS)(H)2	111.6170	0.800	2	111.6170	0.641	2	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(NCS)(H)2	112.8858	0.787	6	112.8858	0.619	6	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(NHS)(H)2	111.0870	2.628	2	111.0870	6.904	2	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCC)(H)2	114.2440	0.000	1	114.2440	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCoC)(H)2	114.8836	2.087	28	114.8836	4.356	28	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCoH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(NCoH)(H)2	116.1730	0.000	1	116.1730	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NCC)(H)2	114.0420	0.000	1	114.0420	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NCuC)(H)2	115.0012	2.590	44	115.0012	6.706	44	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(NFeC)(H)2	114.2234	0.781	25	114.2234	0.611	25	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NHH)(H)2	110.6560	0.000	1	110.6560	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(NHS)(H)2	113.1560	0.000	1	113.1560	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(NHS)(H)2	113.2610	0.000	1	113.2610	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NIrC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NIrC)(H)2	C(CCHH)(NCC)(H)2	114.2050	0.000	1	114.2050	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NMgC)(H)2	C(CCHH)(NMgC)(H)2	C(CHHN)2(H)2	C(CCHH)(NMgC)(H)2	C(CCHH)(NMgC)(H)2	116.4670	0.000	1	116.4670	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(NCC)(H)2	111.8070	0.000	1	111.8070	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(NMnC)(H)2	C(CHHN)2(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(NMnC)(H)2	115.1601	1.353	26	115.1601	1.829	26	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NMoC)(H)2	C(CCHH)(NMoC)(H)2	C(CHHN)2(H)2	C(CCHH)(NMoC)(H)2	C(CCHH)(NMoC)(H)2	115.5490	0.336	3	115.5490	0.113	3	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(NNiC)(H)2	113.5509	2.302	59	113.5509	5.299	59	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NNiH)(H)2	C(CCHH)(NNiH)(H)2	C(CHHN)2(H)2	C(CCHH)(NNiH)(H)2	C(CCHH)(NNiH)(H)2	114.9890	0.000	1	114.9890	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NNiP)(H)2	C(CCHH)(NHP)(H)2	C(CHHN)2(H)2	C(CCHH)(NNiP)(H)2	C(CCHH)(NHP)(H)2	110.8850	0.000	1	110.8850	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(NPdC)(H)2	C(CHHN)2(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(NPdC)(H)2	120.7370	12.381	4	120.7370	153.279	4	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)(NPtC)(H)2	C(CHHN)2(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)(NPtC)(H)2	112.8920	0.000	1	112.8920	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(NReC)(H)2	C(CHHN)2(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(NReC)(H)2	115.0113	1.888	8	115.0113	3.564	8	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NSiC)(H)2	C(CCHH)(NTiC)(H)2	C(CHHN)2(H)2	C(CCHH)(NSiC)(H)2	C(CCHH)(NTiC)(H)2	112.3260	0.000	1	112.3260	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NSmC)(H)2	C(CCHH)(NSmC)(H)2	C(CHHN)2(H)2	C(CCHH)(NSmC)(H)2	C(CCHH)(NSmC)(H)2	115.4110	0.000	1	115.4110	0.000	1	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NTiC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NTiC)(H)2	C(CCHH)(NCC)(H)2	112.0635	1.917	2	112.0635	3.675	2	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NCC)(H)2	112.3775	1.091	2	112.3775	1.190	2	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(NZnC)(H)2	115.1438	1.194	15	115.1438	1.425	15	114.1707	6.814	345	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OFeC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OFeC)(H)2	115.3175	0.336	2	115.3175	0.113	2	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(OMn2)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(OMn2)(H)2	113.8335	0.800	2	113.8335	0.640	2	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(OMnH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(OMnH)(H)2	114.4100	0.000	1	114.4100	0.000	1	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONi2)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONi2)(H)2	113.2355	0.585	2	113.2355	0.342	2	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONiC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONiC)(H)2	112.0800	0.000	1	112.0800	0.000	1	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONiH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(ONiH)(H)2	116.0610	0.089	2	116.0610	0.008	2	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	C(CCHH)(OSn2)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NSnC)(H)2	C(CCHH)(OSn2)(H)2	112.7170	0.000	1	112.7170	0.000	1	114.1911	1.939	11	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(SNiC)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(SNiC)(H)2	115.0892	1.784	4	115.0892	3.182	4	115.0892	3.182	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OMg2)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OMg2)(H)2	C(CCHH)(CNO)(H)2	114.6065	0.100	2	114.6065	0.010	2	114.6065	0.010	2	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(OFe2)(H)2	C(CCHH)(OFe2)(H)2	C(CHHO)2(H)2	C(CCHH)(OFe2)(H)2	C(CCHH)(OFe2)(H)2	119.8455	5.711	2	119.8455	32.619	2	117.2578	19.803	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)2(H)2	C(CCHH)(OMgC)(H)2	C(CCHH)(OMgC)(H)2	C(CHHO)2(H)2	C(CCHH)(OMgC)(H)2	C(CCHH)(OMgC)(H)2	114.6700	0.057	2	114.6700	0.003	2	117.2578	19.803	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo2)(H)2	C(CCHH)(SMoC)(H)2	C(CHHO)(CHHS)(H)2	C(CCHH)(OMo2)(H)2	C(CCHH)(SMoC)(H)2	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SCW)(H)2	C(CCHH)(SCW)(H)2	C(CHHS)2(H)2	C(CCHH)(SCW)(H)2	C(CCHH)(SCW)(H)2	112.1960	3.281	2	112.1960	10.765	2	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SCoC)(H)2	C(CCHH)(SCoC)(H)2	C(CHHS)2(H)2	C(CCHH)(SCoC)(H)2	C(CCHH)(SCoC)(H)2	116.8590	1.677	2	116.8590	2.813	2	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SCuC)(H)2	C(CCHH)(SCuC)(H)2	C(CHHS)2(H)2	C(CCHH)(SCuC)(H)2	C(CCHH)(SCuC)(H)2	119.6480	0.000	1	119.6480	0.000	1	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(SFe2)(H)2	C(CHHS)2(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(SFe2)(H)2	116.0746	3.743	80	116.0746	14.012	80	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SFeC)(H)2	C(CCHH)(SFeC)(H)2	C(CHHS)2(H)2	C(CCHH)(SFeC)(H)2	C(CCHH)(SFeC)(H)2	115.4930	0.000	1	115.4930	0.000	1	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SMoC)(H)2	C(CCHH)(SMoC)(H)2	C(CHHS)2(H)2	C(CCHH)(SMoC)(H)2	C(CCHH)(SMoC)(H)2	114.9297	0.411	3	114.9297	0.169	3	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SNi2)(H)2	C(CCHH)(SNi2)(H)2	C(CHHS)2(H)2	C(CCHH)(SNi2)(H)2	C(CCHH)(SNi2)(H)2	113.8791	0.940	10	113.8791	0.884	10	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SNiC)(H)2	C(CCHH)(SNiC)(H)2	C(CHHS)2(H)2	C(CCHH)(SNiC)(H)2	C(CCHH)(SNiC)(H)2	115.5672	0.966	5	115.5672	0.933	5	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SPd2)(H)2	C(CCHH)(SPd2)(H)2	C(CHHS)2(H)2	C(CCHH)(SPd2)(H)2	C(CCHH)(SPd2)(H)2	117.2883	2.050	3	117.2883	4.201	3	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)(SPdC)(H)2	C(CHHS)2(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)(SPdC)(H)2	114.7307	1.495	9	114.7307	2.236	9	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SPtC)(H)2	C(CCHH)(SPtC)(H)2	C(CHHS)2(H)2	C(CCHH)(SPtC)(H)2	C(CCHH)(SPtC)(H)2	116.2000	0.000	1	116.2000	0.000	1	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SRh2)(H)2	C(CCHH)(SRh2)(H)2	C(CHHS)2(H)2	C(CCHH)(SRh2)(H)2	C(CCHH)(SRh2)(H)2	114.2010	0.000	1	114.2010	0.000	1	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SRhC)(H)2	C(CCHH)(SRhC)(H)2	C(CHHS)2(H)2	C(CCHH)(SRhC)(H)2	C(CCHH)(SRhC)(H)2	114.5238	2.876	4	114.5238	8.274	4	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SRu2)(H)2	C(CCHH)(SRu2)(H)2	C(CHHS)2(H)2	C(CCHH)(SRu2)(H)2	C(CCHH)(SRu2)(H)2	115.0200	0.000	1	115.0200	0.000	1	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SRuC)(H)2	C(CCHH)(SRuC)(H)2	C(CHHS)2(H)2	C(CCHH)(SRuC)(H)2	C(CCHH)(SRuC)(H)2	115.9635	2.439	25	115.9635	5.949	25	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SZrC)(H)2	C(CCHH)(SZrC)(H)2	C(CHHS)2(H)2	C(CCHH)(SZrC)(H)2	C(CCHH)(SZrC)(H)2	114.6610	0.010	2	114.6610	0.000	2	115.7133	9.691	150	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Se-3:H-1:H-1:	C-4:Se-3:H-1:H-1:	C(CSeHH)2(H)2	C(CCHH)(SeCW)(H)2	C(CCHH)(SeCW)(H)2	C(CSeHH)2(H)2	C(CCHH)(SeCW)(H)2	C(CCHH)(SeCW)(H)2	120.8730	3.339	2	120.8730	11.149	2	120.8730	11.149	2	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	C(CCHI)(NCS)(H)2	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	C(CCHI)(NCS)(H)2	116.9280	0.575	4	116.9280	0.330	4	116.9280	0.330	4	114.0189	8.085	718	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:N-3:N-3:	C(CCHH)(CN3)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NOO)3	C(CCHH)(CN3)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(NOO)3	115.2625	0.146	2	115.2625	0.021	2	115.0773	0.146	4	115.0773	0.146	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:3:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:N-3:N-3:	C(CCHH)(CN3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NOO)3	C(CCHH)(CN3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NOO)3	114.8920	0.529	2	114.8920	0.280	2	115.0773	0.146	4	115.0773	0.146	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CCC)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)(CCC)(F)2	C(CCFF)(CF3)(F)2	117.6960	0.000	1	117.6960	0.000	1	116.3960	0.791	7	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CCH)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)(CCH)(F)2	C(CCFF)(CF3)(F)2	116.4255	1.351	2	116.4255	1.826	2	116.3960	0.791	7	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CNO)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CNO)(F)2	C(CCFF)2(F)2	115.6740	0.419	2	115.6740	0.175	2	116.3960	0.791	7	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(COO)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(COO)(F)2	C(CCFF)2(F)2	116.4385	0.076	2	116.4385	0.006	2	116.3960	0.791	7	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CCFF)(COO)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(COO)(H)2	C(CCFF)2(F)2	110.8570	0.000	1	110.8570	0.000	1	110.8570	0.000	1	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(F)2	C(CCFF)(COO)(H)2	C(CCFF)(NH3)(H)2	C(CCHH)(CHHN)(F)2	C(CCFF)(COO)(H)2	C(CCFF)(NH3)(H)2	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	C(CBrCH)(CCHH)(H)2	120.8370	0.000	1	120.8370	0.000	1	115.0067	27.127	3	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)(COO)(Br)(H)	C(CCHH)2(H)2	112.0915	1.807	2	112.0915	3.264	2	115.0067	27.127	3	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCHH)(CNO)(Cl)(H)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CNO)(Cl)(H)	C(CCHH)2(H)2	115.6600	2.693	2	115.6600	7.250	2	115.6600	7.250	2	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CBrC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CBrC)(H)2	C(CCHH)2(H)2	114.6330	0.000	1	114.6330	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)(CH3)(H)2	113.5280	1.342	7	113.5280	1.801	7	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	115.2640	4.296	30	115.2640	18.458	30	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCF)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCF)(H)2	C(CCHH)2(H)2	116.5370	0.000	1	116.5370	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CH3)(H)2	117.5915	6.728	11	117.5915	45.264	11	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	114.6298	1.924	61	114.6298	3.703	61	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	C(CCHH)(CH3)(H)2	112.7212	1.105	10	112.7212	1.220	10	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	114.6338	1.155	29	114.6338	1.335	29	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)(H)2	113.6397	0.536	3	113.6397	0.288	3	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	114.0653	1.502	81	114.0653	2.255	81	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCP)(H)2	C(CCHH)(CH3)(H)2	111.9510	0.000	1	111.9510	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	C(CCHH)(CH3)(H)2	114.6460	3.326	4	114.6460	11.063	4	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCS)(H)2	C(CCHH)2(H)2	112.3280	0.000	1	112.3280	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	C(CCHH)(CH3)(H)2	113.5740	0.000	1	113.5740	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCoC)(H)2	C(CCHH)2(H)2	112.8330	0.000	1	112.8330	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCuC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCuC)(H)2	C(CCHH)2(H)2	115.6048	2.128	21	115.6048	4.530	21	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CFeO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CFeO)(H)2	C(CCHH)2(H)2	113.3440	0.000	1	113.3440	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	113.6572	5.836	10	113.6572	34.058	10	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	112.8202	1.047	5	112.8202	1.096	5	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHO)(H)2	C(CCHH)2(H)2	113.6055	0.080	2	113.6055	0.006	2	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHP)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHP)(H)2	C(CCHH)2(H)2	114.9030	0.000	1	114.9030	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHS)(H)2	C(CCHH)2(H)2	113.8400	0.000	1	113.8400	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CIrC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CIrC)(H)2	C(CCHH)2(H)2	116.0990	0.000	1	116.0990	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CMgC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CMgC)(H)2	C(CCHH)(CH3)(H)2	113.8400	0.000	1	113.8400	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	113.3589	1.284	173	113.3589	1.650	173	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CNS)(H)2	C(CCHH)2(H)2	114.4387	0.236	3	114.4387	0.056	3	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNiO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CNiO)(H)2	C(CCHH)2(H)2	114.0510	0.000	1	114.0510	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	112.4090	1.683	523	112.4090	2.831	523	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(COS)(H)2	C(CCHH)2(H)2	113.2957	1.860	13	113.2957	3.458	13	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CReC)(H)2	C(CCHH)2(H)2	111.4970	0.000	1	111.4970	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CReO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CReO)(H)2	C(CCHH)(CH3)(H)2	113.0660	0.000	1	113.0660	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CRhC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CRhC)(H)2	C(CCHH)(CH3)(H)2	113.9150	0.000	1	113.9150	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CRuC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CRuC)(H)2	C(CCHH)(CH3)(H)2	112.7600	0.000	1	112.7600	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CRuH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CRuH)(H)2	C(CCHH)2(H)2	114.3630	0.000	1	114.3630	0.000	1	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CSS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CSS)(H)2	C(CCHH)2(H)2	116.5205	1.882	2	116.5205	3.540	2	113.2022	4.786	1005	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:I-1:	C(CCHH)(CCHI)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)(I)	113.6820	0.000	1	113.6820	0.000	1	115.6550	1.991	4	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:I-1:	C(CCHH)(CCHI)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)(I)	116.3127	0.625	3	116.3127	0.391	3	115.6550	1.991	4	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(NC3)(H)2	110.7020	0.000	1	110.7020	0.000	1	113.2750	6.513	27	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)(NC3)(H)2	110.8262	1.842	5	110.8262	3.392	5	113.2750	6.513	27	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(NH3)(H)2	113.9806	2.331	21	113.9806	5.435	21	113.2750	6.513	27	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:O-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)(O)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)(O)	C(CCHH)2(H)2	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)2(H)2	114.1442	2.113	87	114.1442	4.466	87	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)2(H)2	113.1865	1.763	197	113.1865	3.110	197	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCN)(H)2	C(CCHH)2(H)2	114.4325	2.338	39	114.4325	5.467	39	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCO)(H)2	C(CCHH)2(H)2	113.6940	1.067	3	113.6940	1.138	3	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)2(H)2	114.8032	2.445	8	114.8032	5.979	8	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCY)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCY)(H)2	C(CCHH)2(H)2	114.5180	0.000	1	114.5180	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)2(H)2	114.3958	1.085	16	114.3958	1.177	16	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCrC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCrC)(H)2	C(CCHH)2(H)2	114.9810	0.000	1	114.9810	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(H)2	112.3515	0.114	2	112.3515	0.013	2	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuN)(H)2	C(CCHH)(CH3)(H)2	113.7250	0.194	2	113.7250	0.038	2	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(CH3)(H)2	111.7862	1.852	4	111.7862	3.428	4	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)2(H)2	115.1828	0.756	10	115.1828	0.572	10	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)2(H)2	113.4065	1.210	16	113.4065	1.464	16	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)2(H)2	113.9417	1.750	6	113.9417	3.064	6	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NHfC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHfC)(H)2	C(CCHH)2(H)2	114.0210	0.115	2	114.0210	0.013	2	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NIrH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NIrH)(H)2	C(CCHH)2(H)2	111.5960	0.000	1	111.5960	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(CH3)(H)2	112.9245	0.210	2	112.9245	0.044	2	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)2(H)2	114.1703	1.525	3	114.1703	2.326	3	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPP)(H)2	C(CCHH)2(H)2	115.1060	0.000	1	115.1060	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(CH3)(H)2	113.7485	1.833	4	113.7485	3.359	4	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)2(H)2	112.1580	2.812	14	112.1580	7.905	14	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)2(H)2	114.9051	1.836	46	114.9051	3.371	46	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(CH3)(H)2	114.2120	0.000	1	114.2120	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	C(CCHH)2(H)2	114.8214	1.821	5	114.8214	3.315	5	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NRhC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NRhC)(H)2	C(CCHH)2(H)2	113.8326	0.571	12	113.8326	0.326	12	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NSiC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NSiC)(H)2	C(CCHH)2(H)2	114.9993	0.558	4	114.9993	0.311	4	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NTiC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NTiC)(H)2	C(CCHH)(CH3)(H)2	118.6000	10.409	2	118.6000	108.339	2	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(CH3)(H)2	112.5800	0.914	3	112.5800	0.835	3	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)2(H)2	115.2180	0.000	1	115.2180	0.000	1	113.7894	4.140	493	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(NH3)(H)2	110.8717	0.536	3	110.8717	0.287	3	110.7827	0.223	4	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(NC3)(H)2	110.5160	0.000	1	110.5160	0.000	1	110.7827	0.223	4	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:O-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OFe3)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)(OFe3)(H)2	115.1530	0.333	3	115.1530	0.111	3	115.1530	0.111	3	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OBeC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OBeC)(H)2	C(CCHH)(CH3)(H)2	113.8415	0.432	2	113.8415	0.187	2	112.5870	4.815	3	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(OIrC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OIrC)(H)2	C(CCHH)(CH3)(H)2	110.0780	0.000	1	110.0780	0.000	1	112.5870	4.815	3	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCN)(H)2	C(CCHH)2(H)2	113.7890	0.000	2	113.7890	0.000	2	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SEr2)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SEr2)(H)2	C(CCHH)(CH3)(H)2	120.2910	0.000	1	120.2910	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)2(H)2	114.0170	1.247	8	114.0170	1.554	8	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SIr2)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SIr2)(H)2	C(CCHH)2(H)2	112.5670	0.000	1	112.5670	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMg2)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SMg2)(H)2	C(CCHH)(CH3)(H)2	113.1540	0.000	1	113.1540	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMo2)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SMo2)(H)2	C(CCHH)2(H)2	114.5110	0.000	1	114.5110	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SMoW)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SMoW)(H)2	C(CCHH)(CH3)(H)2	113.0482	2.618	6	113.0482	6.854	6	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SPd2)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SPd2)(H)2	C(CCHH)2(H)2	112.9917	1.934	6	112.9917	3.742	6	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)(CH3)(H)2	112.7755	1.149	4	112.7755	1.321	4	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SPdC)(H)2	C(CCHH)2(H)2	112.4165	0.354	2	112.4165	0.126	2	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SRe2)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SRe2)(H)2	C(CCHH)(CH3)(H)2	112.5855	4.410	2	112.5855	19.450	2	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SReC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SReC)(H)2	C(CCHH)(CH3)(H)2	112.3510	0.000	1	112.3510	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SYb2)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SYb2)(H)2	C(CCHH)(CH3)(H)2	112.6950	0.000	1	112.6950	0.000	1	113.4063	4.239	36	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	C(CCHH)(NH3)(H)2	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SRh2)(H)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHS)(H)2	C(CCHH)(SRh2)(H)2	C(CCHH)(SiC3)(H)2	114.2235	0.143	4	114.2235	0.020	4	114.2235	0.020	4	113.4167	4.722	1595	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-2:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CC)(H)	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	113.7170	4.264	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(OC)(H)	112.5570	0.000	1	112.5570	0.000	1	114.3290	6.280	2	113.7170	4.264	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(OH)(H)	116.1010	0.000	1	116.1010	0.000	1	114.3290	6.280	2	113.7170	4.264	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(CCC)(H)	112.3050	0.000	1	112.3050	0.000	1	113.1513	0.542	3	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CNO)(H)	113.5745	0.094	2	113.5745	0.009	2	113.1513	0.542	3	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(NCH)(H)	113.8005	0.484	2	113.8005	0.235	2	114.3028	1.150	4	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(NCH)(H)	113.7550	0.000	1	113.7550	0.000	1	114.3028	1.150	4	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(NCO)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(NCO)(H)	115.8550	0.000	1	115.8550	0.000	1	114.3028	1.150	4	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(NCuC)(H)	C(CCHN)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(NCuC)(H)	116.0050	0.994	2	116.0050	0.988	2	116.0050	0.988	2	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)2(OCu2)(H)	115.5915	0.254	2	115.5915	0.064	2	114.9770	7.294	12	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	C(CCHH)(NFeC)(H)2	C(CCHH)2(OFe2)(H)	119.8335	0.323	2	119.8335	0.104	2	114.9770	7.294	12	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)2(OMn2)(H)	113.6093	1.566	8	113.6093	2.454	8	114.9770	7.294	12	114.6857	4.895	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(COO)2	113.6793	0.656	3	113.6793	0.431	3	114.4136	0.773	8	114.4136	0.773	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(COO)2	115.4595	0.200	2	115.4595	0.040	2	114.4136	0.773	8	114.4136	0.773	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(CCO)2	114.7280	0.000	1	114.7280	0.000	1	114.4136	0.773	8	114.4136	0.773	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(CCO)2	114.3120	0.764	2	114.3120	0.583	2	114.4136	0.773	8	114.4136	0.773	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(CH3)(H)	114.5475	2.164	4	114.5475	4.681	4	114.5882	1.350	19	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)(CH3)2(H)	113.4015	0.660	2	113.4015	0.435	2	114.5882	1.350	19	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(CC3)(H)	114.8380	0.000	1	114.8380	0.000	1	114.5882	1.350	19	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CC3)(H)	114.9372	0.565	11	114.9372	0.320	11	114.5882	1.350	19	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(CH3)(H)	113.0360	0.000	1	113.0360	0.000	1	114.5882	1.350	19	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)2(CC3)(H)	115.0045	0.686	11	115.0045	0.471	11	115.1008	0.539	12	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)2(CF3)(H)	116.1610	0.000	1	116.1610	0.000	1	115.1008	0.539	12	114.7866	1.072	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)3(NHH)	C(CCCN)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)3(NHH)	115.1797	0.527	3	115.1797	0.278	3	115.1797	0.278	3	115.1797	0.278	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CH3)3	C(CHHN)(CC3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CH3)3	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	C(CC[5]O)(CCHH)(H)2	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(H)3	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NC)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NC)(H)	C(CCHH)(SC)(H)2	111.4990	0.000	1	111.4990	0.000	1	111.4730	0.001	2	112.8286	4.684	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NC)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NC)(H)	C(CCHH)(SC)(H)2	111.4470	0.000	1	111.4470	0.000	1	111.4730	0.001	2	112.8286	4.684	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCN)(OC)(H)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCN)(OC)(H)	C(CCHH)(OS)(H)2	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	112.8286	4.684	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:S-2:H-1:H-1:	C(CCHO)(CHHS)(H)2	C(CCHH)(COO)(OH)(H)	C(CCHH)(SC)(H)2	C(CCHO)(CHHS)(H)2	C(CCHH)(COO)(OH)(H)	C(CCHH)(SC)(H)2	112.3270	0.871	2	112.3270	0.759	2	112.3270	0.759	2	112.8286	4.684	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCH)(H)2	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCHH)(CCC)(H)2	114.8050	0.000	1	114.8050	0.000	1	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)(COO)(H)2	113.2220	0.000	1	113.2220	0.000	1	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(COO)(H)2	114.5190	0.468	2	114.5190	0.219	2	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CCH)(H)2	116.2670	0.000	1	116.2670	0.000	1	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCH)(H)2	113.3620	0.000	1	113.3620	0.000	1	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	C(CCHH)(CCH)(H)2	114.3190	0.000	1	114.3190	0.000	1	114.4304	1.060	7	114.3924	0.920	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:Ge-2:H-1:	C-4:C-4:H-1:H-1:	C(CGeCH)(CCHH)(H)2	C(CCHH)(CCH)(GeN)(H)	C(CCHH)2(H)2	C(CGeCH)(CCHH)(H)2	C(CCHH)(CCH)(GeN)(H)	C(CCHH)2(H)2	119.5880	0.000	1	119.5880	0.000	1	119.5880	0.000	1	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NC)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NC)(H)	C(CCHH)(CHHN)(H)2	115.6505	0.380	2	115.6505	0.144	2	115.6505	0.144	2	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OC)(H)	C(CCHH)2(H)2	114.0740	0.000	1	114.0740	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCCO)(CCHH)(H)2	114.6710	0.000	1	114.6710	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(OH)(H)	C(CCHH)2(H)2	113.6860	0.000	1	113.6860	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)2(H)2	114.1912	1.196	5	114.1912	1.432	5	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHN)(H)2	117.7325	0.095	2	117.7325	0.009	2	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CCHO)(H)2	114.1415	2.276	2	114.1415	5.181	2	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)2(H)2	115.3997	1.971	12	115.3997	3.885	12	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CCHO)(H)2	114.3070	0.000	1	114.3070	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)2(H)2	113.6653	0.461	3	113.6653	0.213	3	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(OSi)(H)	C(CCHH)(CH3)(H)2	113.4680	0.000	1	113.4680	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CCHO)(H)2	115.3310	0.000	1	115.3310	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OSi)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(OSi)(H)	C(CCCH)(CCHH)(H)2	115.1970	0.000	1	115.1970	0.000	1	114.8784	2.874	31	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:N-4:H-1:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(COO)(OH)(H)	C(CCHH)(NH3)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)(COO)(OH)(H)	C(CCHH)(NH3)(H)2	111.4830	0.000	1	111.4830	0.000	1	111.4830	0.000	1	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCN)(SC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CCN)(SC)(H)	C(CCHH)2(H)2	114.4740	0.000	1	114.4740	0.000	1	112.6025	1.572	4	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CNO)(SC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CNO)(SC)(H)	C(CCHH)2(H)2	111.9787	0.153	3	111.9787	0.024	3	112.6025	1.572	4	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCl3)(H)2	111.4335	0.131	2	111.4335	0.017	2	111.4335	0.017	2	114.5580	4.156	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CH3)(OC)(H)	115.4680	0.000	1	115.4680	0.000	1	115.4013	0.150	3	115.4013	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCO)(OC)(H)	C(CCHH)(CH3)(OC)(H)	114.9850	0.000	1	114.9850	0.000	1	115.4013	0.150	3	115.4013	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCO)(OH)(H)	C(CCHH)(CH3)(OC)(H)	115.7510	0.000	1	115.7510	0.000	1	115.4013	0.150	3	115.4013	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:N-3:H-1:	C(CCHN)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)2(NCH)(H)	C(CCHN)(CCHO)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)2(NCH)(H)	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NC)(H)	C(CCHH)(CH3)2(H)	114.0450	0.000	1	114.0450	0.000	1	114.8975	1.454	2	115.3860	1.299	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NP)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NP)(H)	C(CCHH)(CH3)2(H)	115.7500	0.000	1	115.7500	0.000	1	114.8975	1.454	2	115.3860	1.299	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:Br-1:	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	C(CCHH)(CH3)2(Br)	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OC)(H)	C(CCHH)(CH3)2(Br)	115.3940	0.000	1	115.3940	0.000	1	116.2235	1.376	2	115.3860	1.299	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:Br-1:	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OS)(H)	C(CCHH)(CH3)2(Br)	C(CBrCC)(CCHO)(H)2	C(CCHH)(COO)(OS)(H)	C(CCHH)(CH3)2(Br)	117.0530	0.000	1	117.0530	0.000	1	116.2235	1.376	2	115.3860	1.299	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CNO)(OC)(H)	C(CCHH)(CH3)2(H)	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	115.3860	1.299	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NC)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NC)(H)	C(CCHH)(CH3)2(NCH)	117.8070	0.000	1	117.8070	0.000	1	117.8070	0.000	1	117.1130	0.963	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:2:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:C-3:	C(CCHO)(CC3)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CH3)2(CNO)	C(CCHO)(CC3)(H)2	C(CCHH)(CCH)(OH)(H)	C(CCHH)(CH3)2(CNO)	116.4190	0.000	1	116.4190	0.000	1	116.4190	0.000	1	117.1130	0.963	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CC[5a]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CC[5a]O)(CCHH)(H)2	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)(H)3	110.8360	0.000	1	110.8360	0.000	1	111.8579	0.435	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCN)2(H)	C(CCHH)(H)3	111.5670	0.000	1	111.5670	0.000	1	111.8579	0.435	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(H)3	112.3890	0.000	1	112.3890	0.000	1	111.8579	0.435	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(COO)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(COO)2(H)	C(CCHH)(H)3	112.0532	0.591	4	112.0532	0.349	4	111.8579	0.435	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CCH)(NHS)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CCH)(NHS)(H)	C(CCHH)(H)3	114.0970	0.000	1	114.0970	0.000	1	113.1107	1.430	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(H)3	114.3140	0.000	1	114.3140	0.000	1	113.1107	1.430	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(H)3	112.6728	1.140	5	112.6728	1.300	5	113.1107	1.430	7	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(H)3	113.5690	0.000	1	113.5690	0.000	1	113.5690	0.000	1	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)(OOsH)(CCP)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)(OOsH)(CCP)(H)	C(CCHH)(H)3	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:H-1:O-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)(O)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(H)(O)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.5349	1.123	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(CCH)(NHS)(H)	C(CBrCH)(OS)(H)2	C(CCHN)(CHHO)(Br)(H)	C(CBrCH)(CCH)(NHS)(H)	C(CBrCH)(OS)(H)2	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CIrC)(CCC)(H)	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CIrC)(CCC)(H)	C(CCHH)(CC)(H)2	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(OC)(H)2	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-2:F-1:H-1:	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CN)(F)(H)	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CN)(F)(H)	113.5800	0.000	1	113.5800	0.000	1	113.5800	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CC)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CC)(H)2	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)(CCH)(NHS)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)(CCH)(NHS)(H)	C(CCHH)(OH)(H)2	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(CCO)(NCH)(H)	C(CCHH)(SC)(H)2	112.5110	0.000	1	112.5110	0.000	1	113.1144	1.032	22	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(SC)(H)2	114.3310	0.000	1	114.3310	0.000	1	113.1144	1.032	22	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(SC)(H)2	113.1825	1.529	4	113.1825	2.339	4	113.1144	1.032	22	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(SC)(H)2	112.8932	0.943	11	112.8932	0.889	11	113.1144	1.032	22	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(SC)(H)2	113.4240	0.851	5	113.4240	0.724	5	113.1144	1.032	22	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(SeC)(H)2	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(OH)(H)2	115.1415	0.650	2	115.1415	0.422	2	115.1415	0.422	2	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(NSnC)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(NSnC)(COO)(H)	C(CCHH)(SC)(H)2	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	113.5994	2.304	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:2:2:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-2:O-2:H-1:	C(CCHN)(CCHO)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CN)(OS)(H)	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:F-1:H-1:	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CNO)(F)(H)	C(CCFH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CNO)(F)(H)	114.5687	0.733	4	114.5687	0.537	4	114.5687	0.537	4	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(COO)(H)2	112.8873	1.034	3	112.8873	1.069	3	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CCH)(H)2	115.2650	0.000	1	115.2650	0.000	1	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CNO)(H)2	115.7077	1.954	3	115.7077	3.820	3	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(COO)(H)2	113.5607	1.540	4	113.5607	2.372	4	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCH)(H)2	114.6645	0.120	2	114.6645	0.014	2	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CNO)(H)2	111.8700	0.000	1	111.8700	0.000	1	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(COO)(H)2	112.8486	1.035	12	112.8486	1.071	12	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(COO)(H)2	115.8240	0.000	1	115.8240	0.000	1	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CNO)(H)2	115.2055	0.241	2	115.2055	0.058	2	113.6866	2.439	29	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	C(CCHH)(CCH)(NCC)(H)	C(CCHH)(NCC)(H)2	111.5960	0.000	1	111.5960	0.000	1	110.9570	0.817	2	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(NCS)(H)2	C(CCHN)(CHHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(NCS)(H)2	110.3180	0.000	1	110.3180	0.000	1	110.9570	0.817	2	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(COO)(H)2	111.7940	0.000	1	111.7940	0.000	1	112.5390	1.110	2	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(COO)(H)2	113.2840	0.000	1	113.2840	0.000	1	112.5390	1.110	2	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(NPtC)(COO)(H)	C(CCHH)(SPtC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(NPtC)(COO)(H)	C(CCHH)(SPtC)(H)2	116.3420	0.000	1	116.3420	0.000	1	116.3420	0.000	1	113.6452	2.688	38	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)2(H)2	C(CCHH)(CCO)2(H)	C(CCHH)(CCO)2(H)	C(CCCH)2(H)2	C(CCHH)(CCO)2(H)	C(CCHH)(CCO)2(H)	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:F-1:	C-4:N-4:H-1:H-1:	C(CCCF)(CHHN)(H)2	C(CCHH)(COO)2(F)	C(CCHH)(NH3)(H)2	C(CCCF)(CHHN)(H)2	C(CCHH)(COO)2(F)	C(CCHH)(NH3)(H)2	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)2(H)2	114.4560	0.000	1	114.4560	0.000	1	115.9823	26.667	7	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)2(H)	C(CCHH)2(H)2	115.3710	0.000	1	115.3710	0.000	1	115.9823	26.667	7	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)2(H)2	113.1487	1.429	3	113.1487	2.041	3	115.9823	26.667	7	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(COO)2(H)	C(CCHH)2(H)2	121.3015	8.517	2	121.3015	72.541	2	115.9823	26.667	7	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCC)(H)	C(CCHH)2(H)2	114.4560	1.810	2	114.4560	3.277	2	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)2(H)2	114.6215	1.712	2	114.6215	2.931	2	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CHHS)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(NCO)(H)	C(CCHH)(CHHS)(H)2	116.4320	0.000	1	116.4320	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCO)(NCH)(H)	C(CCHH)2(H)2	111.5820	0.000	1	111.5820	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHO)(NCH)(H)	C(CCHH)2(H)2	113.4700	0.000	1	113.4700	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CHHN)(H)2	116.3545	0.712	2	116.3545	0.507	2	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CHHN)(H)2	113.1190	2.276	4	113.1190	5.180	4	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)2(H)2	114.1705	1.431	10	114.1705	2.047	10	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	C(CCHH)2(H)2	116.1500	0.383	2	116.1500	0.147	2	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CCHO)(H)2	115.1640	0.000	1	115.1640	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CH3)(H)2	114.3110	0.000	1	114.3110	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CHHN)(H)2	112.8876	2.132	9	112.8876	4.545	9	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)2(H)2	113.6255	1.058	12	113.6255	1.120	12	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)2(H)2	112.5300	0.000	1	112.5300	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHH)(H)	C(CCHH)(CHHN)(H)2	114.0640	0.000	1	114.0640	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)2(H)2	112.9220	0.000	1	112.9220	0.000	1	113.8689	2.864	51	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(CNO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(CNO)(H)	C(CCHH)(CHHN)(H)2	117.5730	0.000	1	117.5730	0.000	1	114.8995	3.232	4	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)2(H)2	114.1190	0.000	1	114.1190	0.000	1	114.8995	3.232	4	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NZnC)(COO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NZnC)(COO)(H)	C(CCHH)2(H)2	113.9530	0.383	2	113.9530	0.147	2	114.8995	3.232	4	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(SIr2)(CCO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(SIr2)(CCO)(H)	C(CCHH)(CH3)(H)2	112.7225	1.869	2	112.7225	3.493	2	112.7225	3.493	2	114.0875	5.582	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CCH)(NHS)(H)	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CCH)(NHS)(H)	C(CClCH)(CH3)2(H)	116.9590	0.000	1	116.9590	0.000	1	116.9590	0.000	1	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCH)(NCH)(H)	C(CCHH)(CH3)2(H)	116.8725	2.664	6	116.8725	7.098	6	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCC)(H)	C(CCHH)(CH3)2(H)	113.3590	1.243	2	113.3590	1.545	2	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CH3)2(H)	115.1558	1.308	169	115.1558	1.712	169	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NHS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CNO)(NHS)(H)	C(CCHH)(CH3)2(H)	115.9440	0.000	1	115.9440	0.000	1	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCC)(H)	C(CCHH)(CH3)2(H)	114.3138	0.703	5	114.3138	0.494	5	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCH)(H)	C(CCHH)(CH3)2(H)	115.0326	1.153	84	115.0326	1.329	84	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NCS)(H)	C(CCHH)(CH3)2(H)	115.5840	0.000	1	115.5840	0.000	1	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHP)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHP)(H)	C(CCHH)(CH3)2(H)	116.8853	1.969	3	116.8853	3.876	3	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COO)(NHS)(H)	C(CCHH)(CH3)2(H)	115.6104	0.786	7	115.6104	0.617	7	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(COS)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(COS)(NCH)(H)	C(CCHH)(CH3)2(H)	115.9320	0.651	2	115.9320	0.423	2	115.1676	1.757	280	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCuC)(COO)(H)	C(CCHH)(CH3)2(H)	119.3417	2.901	3	119.3417	8.413	3	117.7232	9.266	5	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NNiC)(COO)(H)	C(CCHH)(CH3)2(H)	115.8390	0.000	1	115.8390	0.000	1	117.7232	9.266	5	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NSnC)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NSnC)(COO)(H)	C(CCHH)(CH3)2(H)	114.7520	0.000	1	114.7520	0.000	1	117.7232	9.266	5	115.2185	1.973	286	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NCH)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CHH)(NCH)(H)	C(CCHH)(CH3)2(NCH)	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CC3)(H)2	C(CCHH)(CCC)(COO)(CN)	C(CCHH)(Cl)(H)2	C(CClHH)(CC3)(H)2	C(CCHH)(CCC)(COO)(CN)	C(CCHH)(Cl)(H)2	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	115.0380	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-2:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	C(CCHH)(SiC3)(H)2	C(CSiHH)(CC3)(H)2	C(CCHH)(CCH)(COO)(CN)	C(CCHH)(SiC3)(H)2	114.6610	0.000	1	114.6610	0.000	1	114.6610	0.000	1	114.6610	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(COO)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCC)(COO)2	C(CCHH)2(H)2	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CN[5]O)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]2H)(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	114.4500	0.000	1	114.4500	0.000	1	114.6812	0.468	5	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CC[5]C)(CCHH)(H)	C(CCHH)(H)3	115.6470	0.000	1	115.6470	0.000	1	114.6812	0.468	5	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCHH)(H)3	114.4363	0.594	3	114.4363	0.353	3	114.6812	0.468	5	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(H)2	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]CH)(CH3)(H)2	C(CC[5a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	113.1100	0.000	1	113.1100	0.000	1	113.1100	0.000	1	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(NCuC)(CH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(NCuC)(CH3)(H)	C(CCHH)(H)3	114.1460	0.109	2	114.1460	0.012	2	113.2310	1.139	4	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(CH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(NNiC)(CH3)(H)	C(CCHH)(H)3	112.3160	0.238	2	112.3160	0.056	2	113.2310	1.139	4	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[4]H)(CH3)(H)2	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[4]H)(CH3)(H)2	C(C[4]B[5]C[4]2)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[6a]C[6]H)(CH3)(H)2	C(C[6]C[6]2Br)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(H)3	111.6090	0.000	1	111.6090	0.000	1	111.6090	0.000	1	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HP)(CH3)(H)2	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C(CCHH)(H)3	C(CC[5]HP)(CH3)(H)2	C(PC[6a]2Mo)(C[5]N[5]2)(CCHH)(H)	C(CCHH)(H)3	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	113.7498	1.634	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C(CCHH)(OC)(H)2	C(CC[6a]C[5]H)(CHHO)(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C(CCHH)(OC)(H)2	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.5460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:N-3:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	C(CCHH)(NCrC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	C(CCHH)(NCrC)(CH3)2	119.6785	0.494	2	119.6785	0.244	2	119.5130	3.426	4	119.5130	3.426	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:N-3:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)(H)	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NCuC)(CH3)(H)	C(CCHH)(NCuC)(CH3)2	117.1200	0.000	1	117.1200	0.000	1	119.5130	3.426	4	119.5130	3.426	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	C-4:N-3:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)(H)	C(CCHH)(NRuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NRuC)(CH3)(H)	C(CCHH)(NRuC)(CH3)2	121.5750	0.000	1	121.5750	0.000	1	119.5130	3.426	4	119.5130	3.426	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CRhO)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CRhO)(CH3)(H)	C(CCHH)2(H)2	110.9650	0.000	2	110.9650	0.000	2	113.3537	3.605	6	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CC[6a]O)(CCHH)(H)	C(CCHH)2(H)2	114.5950	0.000	1	114.5950	0.000	1	113.3537	3.605	6	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CC[6a]C)(CCHH)(H)	C(CCHH)2(H)2	113.7620	0.000	1	113.7620	0.000	1	113.3537	3.605	6	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	C(CCHH)(CH3)(H)2	114.8310	0.000	1	114.8310	0.000	1	113.3537	3.605	6	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CN[5]O)(CCHH)(H)	C(CCHH)2(H)2	115.0040	0.000	1	115.0040	0.000	1	113.3537	3.605	6	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-4:H-1:	N[5]-4:C-4:H-1:H-1:	C(CN[5]HH)(CCCH)(H)2	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	C(CN[5]HH)(CCCH)(H)2	C(CC[5a]CH)(CC[5]O)(CCHH)(H)	C(N[5]C[5]2H)(CCHH)(H)2	118.9475	0.441	2	118.9475	0.194	2	118.9475	0.194	2	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)(H)2	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)(H)	C(NZnCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)(H)	C(NZnCC)(CCHH)(H)2	116.8110	0.143	2	116.8110	0.020	2	116.8110	0.020	2	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C(CC[6a]HH)(CCHH)(H)2	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	C(N[5]C[5]2H)(CC[6a]O)(CCHH)(H)	C(CCHH)(CH3)(H)2	114.7200	0.129	2	114.7200	0.017	2	114.7200	0.017	2	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]N[6]H)(CC[6]HH)(H)2	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	113.7795	0.339	4	113.7795	0.115	4	113.7795	0.115	4	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Ni)(C[6]N[6]2)(CCHH)(H)	C(CCHH)2(H)2	114.3440	0.000	2	114.3440	0.000	2	112.3845	6.554	4	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	C(PC[6a]2Re)(C[6]N[6]2)(CCHH)(H)	C(CCHH)2(H)2	110.4250	2.075	2	110.4250	4.304	2	112.3845	6.554	4	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CC[6a]O)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	112.1180	1.055	2	112.1180	1.113	2	112.1180	1.113	2	114.0935	5.556	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	P-4:C-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CCHP)(H)2	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	C(CCHO)(CCHP)(H)2	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CC[6a]HO)(CCHH)(OH)(H)	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	111.5680	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	115.5375	0.231	4	115.5375	0.054	4	116.1599	0.495	9	116.0172	0.430	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:P-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	116.6578	0.503	5	116.6578	0.253	5	116.1599	0.495	9	116.0172	0.430	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]C[6]H)(CCCH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(CCCH)(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	C(CCHH)(CH3)2(H)	115.5890	0.131	3	115.5890	0.017	3	115.5890	0.017	3	116.0172	0.430	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NCrC)(CH3)(H)	C(NCrCH)(CCHH)(CH3)2	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:2:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CC[6a]C[5]O)(CF3)(F)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C(CCFF)(F)3	C(CC[6a]C[5]O)(CF3)(F)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCFF)(OH)	C(CCFF)(F)3	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	115.3875	4.070	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]O)(CH3)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C(CCHH)(H)3	C(CC[6a]C[5]O)(CH3)(H)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCHH)(OH)	C(CCHH)(H)3	113.9610	0.000	1	113.9610	0.000	1	113.9610	0.000	1	115.3875	4.070	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]C[5]O)(CCHH)(H)2	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C(CCHH)2(H)2	C(CC[6a]C[5]O)(CCHH)(H)2	C(C[5]C[5]2Ru)(C[6a]C[6a]2)(CCHH)(OH)	C(CCHH)2(H)2	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	115.1570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)(CHHN)(H)2	115.8340	0.105	2	115.8340	0.011	2	116.1418	0.187	4	116.1418	0.187	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)2(H)2	116.7430	0.000	1	116.7430	0.000	1	116.1418	0.187	4	116.1418	0.187	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	C(CC[6a]HO)(NC[6a]H)(CCHH)(COO)	C(CCHH)(CH3)(H)2	116.1560	0.000	1	116.1560	0.000	1	116.1418	0.187	4	116.1418	0.187	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:3:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-3:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCN)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	C(CCHH)(NNiC)(CH3)(COO)	C(CCHH)(CH3)2(H)	117.5735	0.941	2	117.5735	0.886	2	117.5735	0.886	2	117.5735	0.886	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NCuC)(CH3)2	C(CCCN)(CCHH)(H)2	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	119.2160	6.771	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:O-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C(CCCO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)2	C(NZnCC)(CCHH)(H)2	C(CCCO)(CHHN)(H)2	C(CCHH)(OZn2)(CH3)2	C(NZnCC)(CCHH)(H)2	117.3760	0.000	1	117.3760	0.000	1	117.3760	0.000	1	119.2160	6.771	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:3:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-3:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(NZrC)(CH3)2	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(NZrC)(CH3)2	C(CCHH)(CH3)3	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:2:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:H-1:	C(CCHH)(CHOO)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(OC[6a])2(CCHH)(H)	C(CCHH)(CHOO)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(OC[6a])2(CCHH)(H)	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(NC[5])(CCHH)(H)2	113.6790	0.000	1	113.6790	0.000	1	114.2477	0.573	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-2:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NP[6])(CCHH)(H)2	114.5320	0.813	2	114.5320	0.661	2	114.2477	0.573	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[5])(CCHH)(H)2	114.2035	0.033	2	114.2035	0.001	2	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	114.7590	0.000	1	114.7590	0.000	1	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.7865	0.517	2	112.7865	0.267	2	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	114.4183	1.613	6	114.4183	2.601	6	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(OC[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(OC[5])(CCHH)(H)2	110.3950	0.000	1	110.3950	0.000	1	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(ON[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(ON[6a])(CCHH)(H)2	114.5730	0.000	1	114.5730	0.000	1	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.3360	1.097	3	112.3360	1.203	3	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.4857	0.885	3	113.4857	0.784	3	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	112.3473	1.463	17	112.3473	2.139	17	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	115.3830	0.000	1	115.3830	0.000	1	113.0532	2.604	37	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CBrHH)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CBrHH)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	111.3750	0.000	1	111.3750	0.000	1	113.7940	4.560	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	114.5900	0.000	1	114.5900	0.000	1	113.7940	4.560	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(SC[5a])(CCHH)(H)2	115.4170	0.000	1	115.4170	0.000	1	113.7940	4.560	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[3]HH)(CHHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[3]HH)(CHHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.3900	1.304	2	113.3900	1.700	2	113.3900	1.700	2	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	114.4460	0.000	1	114.4460	0.000	1	113.8200	0.313	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	113.5070	0.195	2	113.5070	0.038	2	113.8200	0.313	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:F-1:F-1:	N-2:C-4:H-1:H-1:	C(CC[6]FF)(CHHN)(H)2	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C(NC[6])(CCHH)(H)2	C(CC[6]FF)(CHHN)(H)2	C(C[6]C[6,6a]C[6a]O[6])(CCHH)(F)2	C(NC[6])(CCHH)(H)2	114.2210	0.000	1	114.2210	0.000	1	114.2210	0.000	1	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(OC[6])(CCHH)(H)2	115.2350	0.000	1	115.2350	0.000	1	115.2350	0.000	1	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NC[6a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	C(NC[6a]HH)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	115.4980	0.252	2	115.4980	0.063	2	115.4980	0.063	2	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[5,5]HH)(CHHO)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[5,5]HH)(CHHO)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(OC[6a])(CCHH)(H)2	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	C(SC[6a])(CCHH)(H)2	110.4100	0.000	1	110.4100	0.000	1	111.9897	1.962	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(SC[5])(CCHH)(H)2	112.7795	0.426	2	112.7795	0.182	2	111.9897	1.962	3	113.2273	2.604	57	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	O-2:C-4:C-4:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(OC[6])(CCCO)(CCHH)(H)	114.7440	0.000	2	114.7440	0.000	2	114.7440	0.000	2	114.7440	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	2:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[5])(CCHH)(CH3)2	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(OC[5])(CCHH)(CH3)2	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:Cl-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[5]C[5]N[5]H)(CClCH)(H)2	C(C[6a]C[6a]2)(CClCH)(H)2	C(CC[6a]HH)(CC[5]HH)(Cl)(H)	C(C[5]C[5]N[5]H)(CClCH)(H)2	C(C[6a]C[6a]2)(CClCH)(H)2	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:H-1:	C-3:C-4:F-1:F-1:	C(CC[5]FH)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]O)(CCFF)(F)2	C(CC[5]FH)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]O)(CCFF)(F)2	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	C(N[5]C[5]2)(CCFH)(H)2	C(CN[5]HH)(CCFH)(F)(H)	C(CC[6a]FH)(CCFH)(F)(H)	C(N[5]C[5]2)(CCFH)(H)2	112.4957	0.996	3	112.4957	0.991	3	112.4957	0.991	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	112.6799	2.219	14	112.6799	4.922	14	112.9900	4.986	16	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CB[6,6]HH)(CN[5]HH)(H)2	C(B[6,6]C[6,6]2S)(CCHH)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	115.1610	0.194	2	115.1610	0.038	2	112.9900	4.986	16	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)(CBrCH)(H)2	C(CC[6]BrH)(CCHH)(Br)(H)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrCH)(H)2	C(CC[6]BrH)(CCHH)(Br)(H)	C(N[6]C[6]2)(CCHH)(H)2	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	115.0050	0.130	3	115.0050	0.017	3	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]N)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]N)(CCHH)(H)2	114.9605	1.364	2	114.9605	1.861	2	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	115.0750	0.000	1	115.0750	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	113.6695	0.105	2	113.6695	0.011	2	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]C)(CCHH)(H)2	114.7545	0.346	2	114.7545	0.120	2	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	115.5505	0.319	4	115.5505	0.102	4	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	114.4200	0.000	1	114.4200	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	115.2470	0.000	1	115.2470	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]O)(CCHH)(H)2	116.0530	1.945	6	116.0530	3.781	6	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	115.4720	0.000	1	115.4720	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	114.7147	0.899	6	114.7147	0.808	6	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	116.2090	0.160	2	116.2090	0.026	2	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	114.1540	2.130	4	114.1540	4.537	4	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]N)(CCHH)(H)2	114.8365	2.574	22	114.8365	6.624	22	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	113.7517	1.030	3	113.7517	1.060	3	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]O)(CCHH)(H)2	117.0380	0.000	1	117.0380	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	115.8350	0.000	1	115.8350	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	115.9140	0.000	1	115.9140	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	113.0857	0.634	3	113.0857	0.402	3	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[5a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[5a]C)(CCHH)(H)2	114.1780	0.000	1	114.1780	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	112.2550	0.000	1	112.2550	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]C)(CCHH)(H)2	113.8900	0.605	2	113.8900	0.366	2	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]P)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]P)(CCHH)(H)2	114.0157	1.319	4	114.0157	1.740	4	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CC[6a]C)(CCHH)(H)2	113.0110	0.000	1	113.0110	0.000	1	114.7577	3.257	75	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	115.0603	0.460	3	115.0603	0.212	3	115.0603	0.212	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(NC[5a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(NC[5a]S)(CCHH)(H)2	115.9460	0.000	1	115.9460	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(NC[6]C)(CCHH)(H)2	116.4370	0.000	1	116.4370	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	114.6368	1.548	5	114.6368	2.397	5	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	114.0665	0.285	2	114.0665	0.081	2	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	115.3860	0.000	1	115.3860	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	114.2150	0.361	2	114.2150	0.130	2	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(NC[6a]S)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HO)(CCHH)(H)2	C(NC[6a]S)(CCHH)(H)2	115.0240	0.000	1	115.0240	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(NC[5]H)(CCHH)(H)2	113.4785	1.111	2	113.4785	1.234	2	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(NC[5a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(NC[5a]H)(CCHH)(H)2	114.0290	0.000	1	114.0290	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6]C)(CCHH)(H)2	113.4950	0.000	1	113.4950	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	113.1493	0.533	3	113.1493	0.284	3	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(NC[6a]H)(CCHH)(H)2	121.0450	0.000	1	121.0450	0.000	1	114.6435	3.517	21	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[5]O)(CCHH)(H)2	112.3595	0.537	4	112.3595	0.288	4	112.2180	0.222	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	111.9350	0.061	2	111.9350	0.004	2	112.2180	0.222	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[3]HH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.4200	0.000	1	113.4200	0.000	1	113.4200	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[4,3x6]HH)(CC[6a]HH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	112.3887	0.224	3	112.3887	0.050	3	112.3887	0.050	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[5]HH)(H)2	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C(N[6]C[5,6]C[6])(CCHH)(H)2	117.9490	0.223	2	117.9490	0.050	2	117.9490	0.050	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6a]HH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C(NC[5]O)(CCHH)(H)2	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C(NC[5]O)(CCHH)(H)2	116.2845	0.350	2	116.2845	0.123	2	116.2845	0.123	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5,6]HH)(CN[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C(CN[5]O)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C(CN[5]O)(CCHH)(H)2	114.8260	0.000	1	114.8260	0.000	1	114.8260	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C(CC[5]HH)(CBHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]H)(CCHH)(H)2	113.4783	1.090	3	113.4783	1.188	3	113.7977	0.911	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]O)(CCHH)(H)2	113.6170	0.257	2	113.6170	0.066	2	113.7977	0.911	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]H)(CCHH)(H)2	115.1170	0.000	1	115.1170	0.000	1	113.7977	0.911	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	C(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(C[5a]C[5a]2)(CCHH)(H)2	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(C[6]C[6]2)(CCHH)(H)2	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	115.2040	0.000	1	115.2040	0.000	1	114.0052	1.049	13	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	111.9830	0.317	2	111.9830	0.100	2	114.0052	1.049	13	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	114.4404	0.419	7	114.4404	0.175	7	114.0052	1.049	13	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.9383	0.492	3	113.9383	0.242	3	114.0052	1.049	13	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5,6]C[5]Cr)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	113.3150	0.000	1	113.3150	0.000	1	114.3950	0.885	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CN[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	114.9350	0.141	2	114.9350	0.020	2	114.3950	0.885	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	117.8335	0.190	2	117.8335	0.036	2	115.7515	6.730	4	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	114.8560	0.000	1	114.8560	0.000	1	115.7515	6.730	4	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C(N[6]C[6,6]C[6])(CCHH)(H)2	112.4830	0.000	1	112.4830	0.000	1	115.7515	6.730	4	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2H)(CCHH)(H)2	C(CC[6,6]O)(CCHH)(H)2	114.8400	0.000	2	114.8400	0.000	2	114.8400	0.000	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	115.9380	0.000	1	115.9380	0.000	1	114.2837	7.345	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	115.7570	0.000	1	115.7570	0.000	1	114.2837	7.345	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6,6]HH)(CC[6a]HH)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	111.1560	0.000	1	111.1560	0.000	1	114.2837	7.345	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CN[5]O)(CCHH)(H)2	113.5149	0.640	18	113.5149	0.410	18	113.5149	0.410	18	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(C[5]C[5]2)(CCHH)(H)2	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	114.2090	0.000	1	114.2090	0.000	1	114.2090	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	117.6124	0.264	5	117.6124	0.070	5	116.5565	6.745	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(N[6]C[6]2)(CCHH)(H)2	111.2770	0.000	1	111.2770	0.000	1	116.5565	6.745	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]CH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]CH)(CCHH)(H)2	C(NC[6a]C)(CCHH)(H)2	113.4965	0.630	2	113.4965	0.397	2	115.0447	2.277	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMgCC)(CCHH)(H)2	C(NMgSi)(CCHH)(H)2	C(CHHN)2(H)2	C(NMgCC)(CCHH)(H)2	C(NMgSi)(CCHH)(H)2	115.8187	1.125	4	115.8187	1.267	4	115.0447	2.277	6	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	C(SPdRh)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	C(SPdRh)(CCHH)(H)2	114.6155	0.814	8	114.6155	0.662	8	114.6155	0.662	8	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C(CN[5]HH)(CBHH)(H)2	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CBHH)(H)2	C(N[5]C[6a]B[5]C[5])(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(NC[6]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(NC[6]2)(CCHH)(H)2	112.1180	0.000	1	112.1180	0.000	1	112.1820	0.008	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CN[5]HH)(CHHN)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	112.2460	0.000	1	112.2460	0.000	1	112.1820	0.008	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]O)(CCHH)(H)2	110.0795	2.371	25	110.0795	5.619	25	110.0795	5.619	25	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(NC[6]H)(CCHH)(H)2	114.1100	0.000	1	114.1100	0.000	1	111.1577	6.544	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(NC[6a]2)(CCHH)(H)2	109.6815	0.112	2	109.6815	0.013	2	111.1577	6.544	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(N[5]C[5]2)(CCHH)(H)2	110.9220	0.000	2	110.9220	0.000	2	110.9220	0.000	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	C(SC[6a]Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6]2Rh)(CCHH)(H)2	C(SC[6a]Rh)(CCHH)(H)2	112.4560	0.000	1	112.4560	0.000	1	114.6033	3.466	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(SC[6a]Rh)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(SC[6a]Rh)(CCHH)(H)2	115.5890	0.000	1	115.5890	0.000	1	114.6033	3.466	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2W)(CCHH)(H)2	C(SC[5]W)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2W)(CCHH)(H)2	C(SC[5]W)(CCHH)(H)2	115.7650	0.000	1	115.7650	0.000	1	114.6033	3.466	3	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C(CP[5]HH)(CBHH)(H)2	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	C(P[5]B[5]C[5]C)(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	111.4940	0.000	1	111.4940	0.000	1	110.3055	2.825	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	B-3:C-4:H-1:H-1:	C(CP[5]HH)(CBHH)(H)2	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	C(CP[5]HH)(CBHH)(H)2	C(P[5]C[6a]B[5]C[5])(CCHH)(H)2	C(BC[6a]2)(CCHH)(H)2	109.1170	0.000	1	109.1170	0.000	1	110.3055	2.825	2	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CC[6a]N)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CC[6a]N)(CCHH)(H)2	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	113.8324	5.622	256	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]O)(CCHH)2(H)	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	115.7467	1.907	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]CH)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(NC[6]CH)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	114.4420	0.000	1	114.4420	0.000	1	115.0235	0.676	2	115.7467	1.907	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	C(NC[6]H)(CCHH)2(H)	115.6050	0.000	1	115.6050	0.000	1	115.0235	0.676	2	115.7467	1.907	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(H)3	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(H)3	116.0975	0.459	2	116.0975	0.211	2	116.0975	0.211	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(CHHN)(H)2	C(CBrCH)(Br)(H)2	C(CBrHH)(CCHH)(Br)(H)	C(CBrCH)(CHHN)(H)2	C(CBrCH)(Br)(H)2	117.7280	3.779	2	117.7280	14.279	2	117.7280	14.279	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(NFeHH)(H)2	C(CBrCH)(Br)(H)2	C(CBrHH)(CHHN)(Br)(H)	C(CBrCH)(NFeHH)(H)2	C(CBrCH)(Br)(H)2	114.0540	0.000	1	114.0540	0.000	1	114.0540	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(H)3	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(H)3	114.6693	1.175	7	114.6693	1.382	7	114.6693	1.382	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(Cl)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(Cl)(H)2	114.8380	0.000	1	114.8380	0.000	1	116.3753	5.140	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(H)2	C(CClCH)(Cl)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(H)2	C(CClCH)(Cl)(H)2	117.1440	2.595	2	117.1440	6.734	2	116.3753	5.140	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(H)3	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(H)3	113.4830	1.596	4	113.4830	2.549	4	116.5042	47.550	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)(H)3	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)(H)3	128.5890	0.000	1	128.5890	0.000	1	116.5042	47.550	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)(Cl)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	C(CClCH)(H)3	C(CC[3]HH)(CH3)(Cl)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	C(CClCH)(H)3	113.5040	0.000	1	113.5040	0.000	1	113.5040	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	B-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CBFF)(CF3)(F)2	C(BFFO)(CCFF)(F)2	C(CCFF)(F)3	C(CBFF)(CF3)(F)2	C(BFFO)(CCFF)(F)2	C(CCFF)(F)3	117.4230	0.000	1	117.4230	0.000	1	117.4230	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:Br-1:F-1:F-1:	C(CBrFF)(CCFF)(F)2	C(CBrFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	C(CBrFF)(CCFF)(F)2	C(CBrFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	115.2350	0.132	2	115.2350	0.017	2	115.3922	0.342	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:Br-1:F-1:F-1:	C(CBrFF)(CCFF)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)(Br)(F)2	C(CBrFF)(CCFF)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)(Br)(F)2	115.0915	0.532	2	115.0915	0.284	2	115.3922	0.342	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:Br-1:F-1:F-1:	C(CBrFF)(CCFF)(F)2	C(CCuFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	C(CBrFF)(CCFF)(F)2	C(CCuFF)(CCFF)(F)2	C(CCFF)(Br)(F)2	116.3080	0.000	1	116.3080	0.000	1	115.3922	0.342	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(F)3	115.2523	1.751	8	115.2523	3.064	8	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)(CHHN)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)(CHHN)(F)2	C(CCFF)(F)3	118.4270	0.000	1	118.4270	0.000	1	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)(F)3	115.9705	1.570	63	115.9705	2.464	63	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CC[5a]FF)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CC[5a]FF)(CCFF)(F)2	C(CCFF)(F)3	117.0357	2.548	3	117.0357	6.494	3	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)(F)3	115.3601	1.464	10	115.3601	2.143	10	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)(F)3	117.8883	1.209	3	117.8883	1.462	3	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CN[6a]HH)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CN[6a]HH)(CCFF)(F)2	C(CCFF)(F)3	117.0906	0.762	5	117.0906	0.580	5	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CPtFF)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CPtFF)(CCFF)(F)2	C(CCFF)(F)3	117.9460	0.963	2	117.9460	0.928	2	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(F)2	C(CRhFF)(CCFF)(F)2	C(CCFF)(F)3	C(CCFF)(CF3)(F)2	C(CRhFF)(CCFF)(F)2	C(CCFF)(F)3	115.8430	0.000	1	115.8430	0.000	1	116.0641	2.676	96	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:I-1:	C(CCFF)(CFFI)(F)2	C(CCFF)(CFFI)(F)2	C(CCFF)(F)2(I)	C(CCFF)(CFFI)(F)2	C(CCFF)(CFFI)(F)2	C(CCFF)(F)2(I)	116.2779	1.414	21	116.2779	1.999	21	116.2779	1.999	21	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(F)3	C(CCHH)(CF3)(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(F)3	114.9373	0.487	3	114.9373	0.237	3	115.2605	0.576	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(F)2	C(CN[5a]HH)(CCFF)(H)2	C(CCFF)(F)3	C(CCHH)(CF3)(F)2	C(CN[5a]HH)(CCFF)(H)2	C(CCFF)(F)3	116.2300	0.000	1	116.2300	0.000	1	115.2605	0.576	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[5]FF)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(CCFF)(F)3	C(CC[5]FF)(CF3)(F)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	C(CCFF)(F)3	114.8050	0.960	20	114.8050	0.921	20	114.8050	0.921	20	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)(F)2	C(C[5]C[5]N[5]H)(CCFF)(H)2	C(CCFF)(F)3	C(CC[5]HH)(CF3)(F)2	C(C[5]C[5]N[5]H)(CCFF)(H)2	C(CCFF)(F)3	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[6]-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6]FF)(CF3)(F)2	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C(CCFF)(F)3	C(CC[6]FF)(CF3)(F)2	C(C[6]C[6,6a]O[6]O)(CCFF)(F)2	C(CCFF)(F)3	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(F)(H)	C(CC[6a]HO)(CCFH)(H)2	C(CCFH)(H)3	C(CCHH)(CH3)(F)(H)	C(CC[6a]HO)(CCFH)(H)2	C(CCFH)(H)3	114.8900	1.252	3	114.8900	1.567	3	114.8900	1.567	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAsHH)(CH3)(H)2	C(AsO3)(CCHH)(H)2	C(CCHH)(H)3	C(CAsHH)(CH3)(H)2	C(AsO3)(CCHH)(H)2	C(CCHH)(H)3	118.6696	8.612	5	118.6696	74.161	5	118.6696	74.161	5	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CCHH)(H)3	112.7290	0.000	1	112.7290	0.000	1	114.0571	2.354	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CCHH)(H)3	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CCHH)(H)3	114.2785	1.554	6	114.2785	2.414	6	114.0571	2.354	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)(H)3	114.3257	1.200	3	114.3257	1.439	3	117.3467	46.308	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(H)2	C(CCHH)(CH3)(Cl)(H)	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	C(CCHH)(CH3)(Cl)(H)	C(CCHH)(H)3	131.0220	0.000	1	131.0220	0.000	1	117.3467	46.308	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)(H)3	C(CClCH)(CH3)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)(H)3	115.0405	1.906	2	115.0405	3.632	2	117.3467	46.308	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(Br)(H)2	111.4280	2.134	8	111.4280	4.554	8	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(Br)(H)2	110.3560	0.000	1	110.3560	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(Br)(H)2	110.8920	0.000	1	110.8920	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	112.2152	2.927	5	112.2152	8.564	5	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(Br)(H)2	113.7920	0.000	1	113.7920	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	111.4580	0.000	1	111.4580	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	107.9630	0.000	1	107.9630	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	111.6847	2.357	8	111.6847	5.553	8	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(Br)(H)2	114.0270	0.000	1	114.0270	0.000	1	111.6469	5.120	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-1:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(C)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(C)(H)2	115.9855	2.913	2	115.9855	8.483	2	115.9855	8.483	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(Cl)3	C(CCHH)(CCl3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(Cl)3	113.7293	0.518	3	113.7293	0.268	3	113.7293	0.268	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(Cl)(H)2	113.5760	0.000	1	113.5760	0.000	1	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(Cl)(H)2	118.2022	10.551	4	118.2022	111.318	4	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	112.9485	0.180	2	112.9485	0.033	2	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.5970	0.000	1	113.5970	0.000	1	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CC[5a]C[5]C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CC[5a]C[5]C)(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.0435	0.499	2	113.0435	0.249	2	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	109.8290	0.000	1	109.8290	0.000	1	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(Cl)(H)2	114.0610	0.000	1	114.0610	0.000	1	114.6547	38.319	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(F)3	113.6320	0.000	1	113.6320	0.000	1	113.4309	1.244	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	C(CCHH)(F)3	113.4743	1.882	3	113.4743	3.543	3	113.4309	1.244	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(F)3	113.5205	0.237	2	113.5205	0.056	2	113.4309	1.244	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(F)3	114.0050	0.000	1	114.0050	0.000	1	113.4309	1.244	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(F)3	C(CCHH)(CF3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(F)3	112.3460	0.000	1	112.3460	0.000	1	113.4309	1.244	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C(CCHH)(CFFH)(H)2	C(CN[5]CF)(CCHH)(H)2	C(CCHH)(F)2(H)	C(CCHH)(CFFH)(H)2	C(CN[5]CF)(CCHH)(H)2	C(CCHH)(F)2(H)	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CAlHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CAlHH)(CCHH)(H)2	C(CCHH)(H)3	112.2915	2.555	4	112.2915	6.526	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CAs[5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CAs[5]HH)(CCHH)(H)2	C(CCHH)(H)3	113.2070	0.000	1	113.2070	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CAuCH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CAuCH)(CCHH)(H)2	C(CCHH)(H)3	114.0870	0.000	1	114.0870	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CAuHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CAuHH)(CCHH)(H)2	C(CCHH)(H)3	111.6000	0.000	1	111.6000	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(H)3	112.8336	1.077	14	112.8336	1.159	14	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	C(CCHH)(H)3	114.0652	1.299	22	114.0652	1.688	22	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CBeHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CBeHH)(CCHH)(H)2	C(CCHH)(H)3	113.5700	0.000	1	113.5700	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(H)3	112.5647	3.948	18	112.5647	15.585	18	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(H)3	113.0295	1.593	2	113.0295	2.538	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(H)3	111.7316	0.777	8	111.7316	0.604	8	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCCS)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCCS)(CCHH)(H)2	C(CCHH)(H)3	110.2780	0.000	1	110.2780	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(H)3	112.9250	0.453	4	112.9250	0.205	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(H)3	112.7710	1.929	2	112.7710	3.721	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(H)3	113.1248	2.006	31	113.1248	4.025	31	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(H)3	113.3005	0.998	12	113.3005	0.996	12	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(H)3	112.6765	1.230	10	112.6765	1.512	10	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(H)3	116.6405	12.676	9	116.6405	160.684	9	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)3	113.0487	2.857	4611	113.0487	8.162	4611	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)3	113.2510	3.616	317	113.2510	13.075	317	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(H)3	113.2935	1.696	389	113.2935	2.878	389	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(H)3	112.2572	2.899	49	112.2572	8.406	49	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHHW)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHHW)(H)2	C(CCHH)(H)3	112.4083	1.071	3	112.4083	1.147	3	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CHOP)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CHOP)(H)2	C(CCHH)(H)3	112.5130	0.000	1	112.5130	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)(CLi3)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)(CLi3)(H)2	C(CCHH)(H)3	113.9815	0.159	2	113.9815	0.025	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(H)3	114.0144	5.176	3994	114.0144	26.787	3994	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.9930	0.000	1	113.9930	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(H)3	113.6677	0.940	8	113.6677	0.884	8	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)(H)3	112.6523	2.754	6	112.6523	7.583	6	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	112.5710	0.000	1	112.5710	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3x6]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3x6]CH)(CCHH)(H)2	C(CCHH)(H)3	112.0040	0.000	1	112.0040	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.7311	0.782	7	113.7311	0.611	7	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(H)3	118.5050	7.706	3	118.5050	59.380	3	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	114.0013	1.968	3	114.0013	3.872	3	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(H)3	111.6480	0.000	1	111.6480	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	115.4710	0.000	1	115.4710	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.4510	0.692	5	113.4510	0.478	5	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)(H)3	111.9030	0.000	1	111.9030	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(H)3	112.5521	0.794	17	112.5521	0.630	17	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(H)3	113.6240	4.008	122	113.6240	16.066	122	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(H)3	111.6770	0.024	2	111.6770	0.001	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)(H)3	112.1155	0.306	2	112.1155	0.094	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5]HS)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5]HS)(CCHH)(H)2	C(CCHH)(H)3	112.4190	0.000	1	112.4190	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(H)3	112.2325	0.748	6	112.2325	0.559	6	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(H)3	112.0590	0.000	1	112.0590	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(H)3	113.0645	0.840	4	113.0645	0.706	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]C[6a]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]C[6a]H)(CCHH)(H)2	C(CCHH)(H)3	112.1250	0.000	1	112.1250	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(H)3	113.0771	1.474	110	113.0771	2.173	110	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(H)3	111.2110	0.000	1	111.2110	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(H)3	112.9375	1.258	2	112.9375	1.582	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.4975	1.196	4	113.4975	1.429	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(H)3	112.4815	2.882	11	112.4815	8.304	11	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.3197	1.697	89	113.3197	2.880	89	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6]HN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6]HN)(CCHH)(H)2	C(CCHH)(H)3	114.0510	0.000	1	114.0510	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(H)3	112.7546	1.342	111	112.7546	1.800	111	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(H)3	113.3160	0.000	1	113.3160	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(H)3	112.4297	0.895	18	112.4297	0.801	18	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(H)3	112.0140	0.000	1	112.0140	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	111.9972	0.412	4	111.9972	0.170	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(H)3	114.0042	4.573	156	114.0042	20.913	156	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(H)3	112.9265	0.416	2	112.9265	0.173	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(H)3	111.9917	0.496	4	111.9917	0.246	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)(H)3	112.6265	0.775	4	112.6265	0.601	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CCu2C)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CCu2C)(CCHH)(H)2	C(CCHH)(H)3	111.3793	2.409	6	111.3793	5.804	6	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CDyOO)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CDyOO)(CCHH)(H)2	C(CCHH)(H)3	110.1295	7.208	2	110.1295	51.949	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CGeHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CGeHH)(CCHH)(H)2	C(CCHH)(H)3	114.1248	1.063	4	114.1248	1.131	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CHfHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CHfHH)(CCHH)(H)2	C(CCHH)(H)3	113.9965	0.578	2	113.9965	0.334	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)(H)3	112.8320	0.000	1	112.8320	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CMgHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CMgHH)(CCHH)(H)2	C(CCHH)(H)3	114.4166	1.189	19	114.4166	1.413	19	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)(H)3	114.5310	0.000	1	114.5310	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)(H)3	111.5088	2.394	5	111.5088	5.729	5	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(H)3	111.6950	0.000	1	111.6950	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5,5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5,5]HH)(CCHH)(H)2	C(CCHH)(H)3	112.2190	0.000	1	112.2190	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5]CH)(CCHH)(H)2	C(CCHH)(H)3	113.9190	2.128	5	113.9190	4.528	5	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(H)3	113.1409	2.998	541	113.1409	8.986	541	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(H)3	112.9194	3.459	102	112.9194	11.966	102	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[6]CH)(CCHH)(H)2	C(CCHH)(H)3	111.1740	0.355	2	111.1740	0.126	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(H)3	112.8785	2.450	136	112.8785	6.002	136	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(H)3	113.2758	2.530	36	113.2758	6.403	36	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)(H)3	112.9613	1.419	3	112.9613	2.014	3	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(H)3	112.0843	1.019	7	112.0843	1.039	7	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(H)3	112.0635	0.655	2	112.0635	0.430	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CP[6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CP[6]HH)(CCHH)(H)2	C(CCHH)(H)3	111.8410	0.000	1	111.8410	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CPtHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CPtHH)(CCHH)(H)2	C(CCHH)(H)3	113.2365	0.141	2	113.2365	0.020	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CPtHP)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CPtHP)(CCHH)(H)2	C(CCHH)(H)3	114.2220	0.000	1	114.2220	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CRh2C)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CRh2C)(CCHH)(H)2	C(CCHH)(H)3	113.5190	0.000	1	113.5190	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(H)3	112.9802	1.933	4	112.9802	3.735	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSiCC)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSiCC)(CCHH)(H)2	C(CCHH)(H)3	111.4225	0.857	4	111.4225	0.734	4	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(H)3	113.3192	1.048	11	113.3192	1.099	11	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSiHN)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSiHN)(CCHH)(H)2	C(CCHH)(H)3	113.9175	1.193	2	113.9175	1.423	2	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSi[5]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSi[5]HH)(CCHH)(H)2	C(CCHH)(H)3	113.5990	0.000	1	113.5990	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CSnHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CSnHH)(CCHH)(H)2	C(CCHH)(H)3	112.9730	2.623	127	112.9730	6.878	127	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CZnHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CZnHH)(CCHH)(H)2	C(CCHH)(H)3	114.5190	0.000	1	114.5190	0.000	1	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CZrHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CZrHH)(CCHH)(H)2	C(CCHH)(H)3	114.9577	0.778	3	114.9577	0.605	3	113.4233	15.039	11254	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)2(I)	111.9500	2.376	3	111.9500	5.648	3	111.6428	3.773	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)2(I)	113.4230	0.000	1	113.4230	0.000	1	111.6428	3.773	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CCHH)(CHHI)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(H)2(I)	109.8090	0.000	1	109.8090	0.000	1	111.6428	3.773	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CCHH)(CHHI)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(H)2(I)	110.7750	0.000	1	110.7750	0.000	1	111.6428	3.773	6	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:N-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(H)(N)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(H)(N)	C(CCHH)(H)3	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(Br)(H)2	C(CBrHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(Br)(H)2	110.5387	2.401	3	110.5387	5.765	3	110.5387	5.765	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NBCC)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NBCC)(H)2	C(CCHH)(H)3	109.0807	0.136	3	109.0807	0.019	3	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NBHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NBHH)(H)2	C(CCHH)(H)3	112.3720	0.000	1	112.3720	0.000	1	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(H)3	110.8606	5.036	322	110.8606	25.364	322	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCCD)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCCD)(H)2	C(CCHH)(H)3	110.9833	0.165	3	110.9833	0.027	3	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(H)3	111.2113	1.743	28	111.2113	3.037	28	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(H)3	110.8142	1.497	25	110.8142	2.241	25	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(H)3	111.7385	3.560	27	111.7385	12.674	27	110.9312	21.180	409	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CHHI)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(H)2(I)	C(CHHI)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(H)2(I)	111.0517	1.356	3	111.0517	1.840	3	111.0517	1.840	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(H)2	C(CCHH)(OMg3)(H)2	C(CCHH)(H)3	C(CHHO)(CH3)(H)2	C(CCHH)(OMg3)(H)2	C(CCHH)(H)3	114.5430	2.283	4	114.5430	5.212	4	114.5430	5.212	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(F)(H)2	C(CFHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(F)(H)2	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)(H)3	112.0525	0.433	2	112.0525	0.188	2	113.9703	5.844	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(H)3	112.7477	2.518	3	112.7477	6.340	3	113.9703	5.844	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PCCH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PCCH)(H)2	C(CCHH)(H)3	114.2473	1.516	6	114.2473	2.298	6	113.9703	5.844	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(H)3	114.5461	2.706	15	114.5461	7.321	15	113.9703	5.844	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(CCHH)(PSe3)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(CCHH)(PSe3)(H)2	C(CCHH)(H)3	111.1750	0.000	1	111.1750	0.000	1	113.9703	5.844	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHS)(H)2	C(CCHH)(SFe3)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHS)(H)2	C(CCHH)(SFe3)(H)2	C(CCHH)(Cl)(H)2	115.1775	0.057	2	115.1775	0.003	2	115.1775	0.003	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SMn3)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SMn3)(H)2	C(CCHH)(H)3	111.7777	1.326	11	111.7777	1.758	11	111.6467	1.804	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(CCHH)(SNOO)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(CCHH)(SNOO)(H)2	C(CCHH)(H)3	110.2060	0.000	1	110.2060	0.000	1	111.6467	1.804	12	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CSiHH)(CF3)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(F)3	C(CSiHH)(CF3)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(F)3	113.7103	0.920	8	113.7103	0.847	8	113.7103	0.847	8	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:I-1:	C(CSiHH)(CHHI)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(H)2(I)	C(CSiHH)(CHHI)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(H)2(I)	112.0443	2.771	4	112.0443	7.677	4	112.0443	7.677	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3,3,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,3,6]HH)(CH3)(H)2	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[3,3,6]HH)(CH3)(H)2	C(C[3,3,6]B[3x3,5]C[3,3,6]C[3,5,6])(CCHH)(H)2	C(CCHH)(H)3	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]ClH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	C(CCHH)(H)3	C(CC[3]ClH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	C(CCHH)(H)3	111.9493	1.085	3	111.9493	1.177	3	111.9493	1.177	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)(H)3	112.3700	0.000	1	112.3700	0.000	1	112.9671	0.557	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[3]HH)(CH3)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(H)3	113.0268	0.759	10	113.0268	0.576	10	112.9671	0.557	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[3x6]HH)(CClHH)(H)2	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[3x6]HH)(CClHH)(H)2	C(C[3x6]C[4x6]C[6,6]O[6])(CCHH)(H)2	C(CCHH)(Cl)(H)2	111.0550	0.000	1	111.0550	0.000	1	111.0550	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[5,6,6]C[6,6]2)(CCHH)(H)2	C(CCHH)(H)3	109.2070	0.000	1	109.2070	0.000	1	111.4651	2.047	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(H)3	C(CC[3x6]HH)(CH3)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(H)3	111.8415	1.126	6	111.8415	1.267	6	111.4651	2.047	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4,3x5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,3x5,6]HH)(CH3)(H)2	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[4,3x5,6]HH)(CH3)(H)2	C(C[4,3x5,6]C[4,3x5,6,6]C[4x5,6,6]C[4,5])(CCHH)(H)2	C(CCHH)(H)3	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HH)(CH3)(H)2	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[4,5]HH)(CH3)(H)2	C(C[4,5]C[4,5]2C[5])(CCHH)(H)2	C(CCHH)(H)3	114.1240	1.042	4	114.1240	1.085	4	114.1240	1.085	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]C[4]H)(CCHH)(H)2	C(CCHH)(H)3	113.7810	0.071	2	113.7810	0.005	2	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,5]S[4]H)(CCHH)(H)2	C(CCHH)(H)3	112.1880	0.000	1	112.1880	0.000	1	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4,6a]C[4]C)(CCHH)(H)2	C(CCHH)(H)3	111.8420	0.137	2	111.8420	0.019	2	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2Ni)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2Ni)(CCHH)(H)2	C(CCHH)(H)3	112.4417	0.871	3	112.4417	0.759	3	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CCHH)(H)3	111.8710	0.023	2	111.8710	0.001	2	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]S[4]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]S[4]H)(CCHH)(H)2	C(CCHH)(H)3	114.6000	0.000	1	114.6000	0.000	1	112.6455	1.077	11	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5,6]HH)(CH3)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,5,6]HH)(CH3)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C(CCHH)(H)3	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	112.9068	0.447	8	112.9068	0.200	8	112.2323	1.022	26	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C(CCHH)(H)3	111.9701	1.121	15	111.9701	1.257	15	112.2323	1.022	26	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,5]HH)(CH3)(H)2	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C(CCHH)(H)3	111.7447	0.766	3	111.7447	0.586	3	112.2323	1.022	26	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C(CCHH)(H)3	113.3820	0.000	1	113.3820	0.000	1	112.5323	0.543	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,6,6]HH)(CH3)(H)2	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C(CCHH)(H)3	112.1075	0.053	2	112.1075	0.003	2	112.5323	0.543	3	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C(CCHH)(H)3	111.4240	0.000	1	111.4240	0.000	1	111.5769	0.587	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CCHH)(H)3	111.6295	1.027	4	111.6295	1.055	4	111.5769	0.587	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5,6]HH)(CH3)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(H)3	111.5480	0.566	2	111.5480	0.320	2	111.5769	0.587	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Br)(H)	C(CCHH)(H)3	115.5890	0.000	1	115.5890	0.000	1	114.1230	1.164	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CC[5]BrH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CCHH)(H)3	113.6343	0.560	3	113.6343	0.314	3	114.1230	1.164	4	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]ClH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CCHH)(H)3	C(CC[5]ClH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CCHH)(H)3	114.4700	0.560	2	114.4700	0.314	2	114.4700	0.314	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CC[5]HH)(CCl3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(Cl)3	C(CC[5]HH)(CCl3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(Cl)3	113.0740	0.000	1	113.0740	0.000	1	113.0740	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CCHH)(F)3	C(CC[5]HH)(CF3)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CCHH)(F)3	111.8030	0.000	1	111.8030	0.000	1	111.8030	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	113.5270	0.240	2	113.5270	0.058	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	111.6405	1.150	6	111.6405	1.322	6	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(H)3	112.5976	0.806	14	112.5976	0.649	14	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C(CCHH)(H)3	111.6010	0.000	1	111.6010	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCHH)(H)3	110.4585	0.893	2	110.4585	0.798	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C(CCHH)(H)3	114.0390	0.000	1	114.0390	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	C(CCHH)(H)3	111.0715	0.216	2	111.0715	0.047	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(H)3	111.7793	0.906	13	111.7793	0.820	13	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(H)3	112.6735	0.999	11	112.6735	0.997	11	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(H)3	112.7930	0.438	2	112.7930	0.192	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Lu)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Lu)(CCHH)(H)2	C(CCHH)(H)3	111.5847	1.375	4	111.5847	1.890	4	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(H)3	112.3468	1.616	12	112.3468	2.611	12	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	C(CCHH)(H)3	111.9560	0.000	1	111.9560	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Sm)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Sm)(CCHH)(H)2	C(CCHH)(H)3	114.6710	4.984	2	114.6710	24.837	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	113.5043	2.110	7	113.5043	4.450	7	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(H)3	112.4380	1.109	3	112.4380	1.230	3	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]Fe)(CCHH)(H)2	C(CCHH)(H)3	112.4558	0.644	12	112.4558	0.414	12	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CCHH)(H)3	113.3295	0.629	2	113.3295	0.395	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	112.4320	0.000	1	112.4320	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(H)3	112.9520	0.100	2	112.9520	0.010	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]2H)(CCHH)(H)2	C(CCHH)(H)3	112.1020	0.000	1	112.1020	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CCHH)(H)3	110.9790	0.000	1	110.9790	0.000	1	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[5]HH)(CH3)(H)2	C(C[5]O[5]2C)(CCHH)(H)2	C(CCHH)(H)3	111.9540	0.049	2	111.9540	0.002	2	112.3960	1.777	104	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(H)2(O)	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(H)2(O)	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:Cl-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[6,6]ClH)(CF3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C(CCHH)(F)3	C(CC[6,6]ClH)(CF3)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(Cl)(H)	C(CCHH)(F)3	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6,6]HH)(CH3)(H)2	C(C[6,6]C[5,6,6]C[3x6]H)(CCHH)(H)2	C(CCHH)(H)3	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6]BrH)(CClHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CCHH)(Cl)(H)2	C(CC[6]BrH)(CClHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CCHH)(Cl)(H)2	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]BrH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CCHH)(H)3	C(CC[6]BrH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	C(CCHH)(H)3	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	115.1590	0.000	1	115.1590	0.000	1	114.2185	1.769	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CC[6]HH)(CClHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	113.2780	0.000	1	113.2780	0.000	1	114.2185	1.769	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	113.4120	1.266	2	113.4120	1.602	2	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CCHH)(H)3	109.3260	0.000	1	109.3260	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]2H)(CCHH)(H)2	C(CCHH)(H)3	113.5880	0.192	2	113.5880	0.037	2	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	114.7262	1.686	4	114.7262	2.841	4	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(CCHH)(H)3	113.0960	0.482	3	113.0960	0.232	3	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[5,6]C)(CCHH)(H)2	C(CCHH)(H)3	112.9290	0.000	1	112.9290	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(H)3	112.0000	0.876	4	112.0000	0.767	4	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	113.1570	0.762	3	113.1570	0.581	3	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(H)3	112.1826	0.665	23	112.1826	0.442	23	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(H)3	112.6443	1.340	26	112.6443	1.796	26	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2Ir)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2Ir)(CCHH)(H)2	C(CCHH)(H)3	112.8390	0.000	1	112.8390	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(H)3	112.4577	1.577	3	112.4577	2.486	3	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CCHH)(H)3	111.2710	0.000	1	111.2710	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(H)3	112.9364	1.288	12	112.9364	1.658	12	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(H)3	111.5627	1.115	3	111.5627	1.244	3	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]C[6]O[6]Ir)(CCHH)(H)2	C(CCHH)(H)3	112.6780	0.000	1	112.6780	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	114.2690	0.000	1	114.2690	0.000	1	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C(CCHH)(H)3	113.3835	0.023	2	113.3835	0.001	2	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)(H)3	114.7337	1.823	3	114.7337	3.323	3	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(H)2	C(C[6]Si[6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CC[6]HH)(CH3)(H)2	C(C[6]Si[6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	111.1765	0.088	2	111.1765	0.008	2	112.6791	1.732	98	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CGeHH)(CF3)(H)2	C(GeC[6a]3)(CCHH)(H)2	C(CCHH)(F)3	C(CGeHH)(CF3)(H)2	C(GeC[6a]3)(CCHH)(H)2	C(CCHH)(F)3	112.8200	0.000	1	112.8200	0.000	1	112.8200	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(H)3	113.5870	0.000	1	113.5870	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)(H)3	111.9270	0.000	1	111.9270	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)(H)3	109.0710	0.000	1	109.0710	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NCrCH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NCrCH)(CCHH)(H)2	C(CCHH)(H)3	111.1855	0.404	2	111.1855	0.163	2	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(H)3	110.0340	0.000	1	110.0340	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)(H)3	110.3020	0.636	3	110.3020	0.404	3	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(H)3	111.8520	0.000	1	111.8520	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NLi2C)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NLi2C)(CCHH)(H)2	C(CCHH)(H)3	112.3590	0.000	1	112.3590	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NMn2P)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NMn2P)(CCHH)(H)2	C(CCHH)(H)3	111.1090	0.000	1	111.1090	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(H)3	110.9915	0.101	2	110.9915	0.010	2	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NOsHH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NOsHH)(CCHH)(H)2	C(CCHH)(H)3	111.0000	0.000	1	111.0000	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(H)3	112.1963	2.007	6	112.1963	4.028	6	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NReCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NReCC)(CCHH)(H)2	C(CCHH)(H)3	110.9585	1.375	2	110.9585	1.892	2	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NRuHH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NRuHH)(CCHH)(H)2	C(CCHH)(H)3	111.5120	0.478	3	111.5120	0.228	3	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(H)3	C(CHHN)(CH3)(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(H)3	111.9310	0.000	1	111.9310	0.000	1	111.3986	1.760	27	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(H)2(O)	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(H)2(O)	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[3x6]HH)(CH3)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(H)3	C(CN[3x6]HH)(CH3)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(H)3	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(H)3	109.3580	1.353	6	109.3580	1.830	6	109.4416	1.163	10	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(CCHH)(H)3	C(CN[5]HH)(CH3)(H)2	C(N[5]In[5,6]C[5,6]C)(CCHH)(H)2	C(CCHH)(H)3	109.5670	0.635	4	109.5670	0.404	4	109.4416	1.163	10	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CN[6]HH)(CClHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(Cl)(H)2	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(H)3	112.1430	0.000	1	112.1430	0.000	1	111.7779	16.993	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(H)3	112.7247	6.830	3	112.7247	46.649	3	111.7779	16.993	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CH3)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(H)3	110.7093	1.098	3	110.7093	1.205	3	111.7779	16.993	7	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(Cl)(H)2	C(CClHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(Cl)(H)2	112.3690	0.000	1	112.3690	0.000	1	112.3690	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(H)3	112.3535	0.996	2	112.3535	0.993	2	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(H)3	112.5390	2.000	3	112.5390	4.000	3	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PC[6a]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PC[6a]C[6]2)(CCHH)(H)2	C(CCHH)(H)3	110.4770	0.000	1	110.4770	0.000	1	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PC[6a]OS)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PC[6a]OS)(CCHH)(H)2	C(CCHH)(H)3	117.1670	0.000	1	117.1670	0.000	1	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PCdCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PCdCC)(CCHH)(H)2	C(CCHH)(H)3	120.6607	10.961	3	120.6607	120.139	3	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PCuCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PCuCC)(CCHH)(H)2	C(CCHH)(H)3	112.0900	0.305	2	112.0900	0.093	2	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(H)3	129.5537	4.586	3	129.5537	21.030	3	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PFeCN)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PFeCN)(CCHH)(H)2	C(CCHH)(H)3	111.3615	1.043	2	111.3615	1.088	2	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PMoCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PMoCC)(CCHH)(H)2	C(CCHH)(H)3	111.5015	0.976	6	111.5015	0.953	6	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(H)3	112.4843	1.410	24	112.4843	1.988	24	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(H)3	111.8300	1.151	18	111.8300	1.325	18	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(H)2	C(PReCC)(CCHH)(H)2	C(CCHH)(H)3	C(CHHP)(CH3)(H)2	C(PReCC)(CCHH)(H)2	C(CCHH)(H)3	111.7586	0.672	9	111.7586	0.452	9	113.1745	19.940	74	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6]HH)(CH3)(H)2	C(P[6]O[6]2O)(CCHH)(H)2	C(CCHH)(H)3	C(CP[6]HH)(CH3)(H)2	C(P[6]O[6]2O)(CCHH)(H)2	C(CCHH)(H)3	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(H)2	C(SPtCO)(CCHH)(H)2	C(CCHH)(H)3	C(CHHS)(CH3)(H)2	C(SPtCO)(CCHH)(H)2	C(CCHH)(H)3	111.3305	0.046	2	111.3305	0.002	2	111.3305	0.002	2	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)(H)3	113.7764	0.986	7	113.7764	0.972	7	113.6742	0.776	9	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CCHH)(H)3	113.3165	0.209	2	113.3165	0.044	2	113.6742	0.776	9	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSi[5]HH)(CH3)(H)2	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CSi[5]HH)(CH3)(H)2	C(Si[5]Si[5]N[5]2)(CCHH)(H)2	C(CCHH)(H)3	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:N-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)(N)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(H)(N)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	113.3432	15.037	12408	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)(OC)(H)2	114.0010	1.812	2	114.0010	3.282	2	114.0010	3.282	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(OH)(H)2	C(CCHH)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(OH)(H)2	112.3935	0.193	2	112.3935	0.037	2	112.3935	0.037	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-2:F-1:F-1:	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(CCFF)(CN)(F)2	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(CCFF)(CN)(F)2	115.0520	0.000	1	115.0520	0.000	1	115.0520	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OC)(H)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OC)(H)2	114.6310	0.000	1	114.6310	0.000	1	116.6326	1.703	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OH)(H)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OH)(H)2	117.6995	0.327	2	117.6995	0.107	2	116.6326	1.703	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OP)(H)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(OP)(H)2	116.5665	0.643	2	116.5665	0.413	2	116.6326	1.703	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	C(CCHH)(SC)(H)2	111.9220	0.000	1	111.9220	0.000	1	110.9585	1.857	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	C(CCHH)(SS)(H)2	C(CAsHH)(CHHS)(H)2	C(AsC[6a]3)(CCHH)(H)2	C(CCHH)(SS)(H)2	109.9950	0.000	1	109.9950	0.000	1	110.9585	1.857	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:S-2:H-1:H-1:	C(CCFF)(CHHS)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(SSn)(H)2	C(CCFF)(CHHS)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(SSn)(H)2	110.9470	0.431	2	110.9470	0.186	2	110.9470	0.186	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C(CCFH)(CHHO)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCHH)(OS)(H)2	C(CCFH)(CHHO)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCHH)(OS)(H)2	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC)(H)2	110.9000	0.000	1	110.9000	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CC)(H)2	113.4103	1.772	12	113.4103	3.140	12	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CN)(H)2	113.2370	0.000	1	113.2370	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)(H)2	114.0127	4.785	3	114.0127	22.900	3	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CN)(H)2	113.4530	0.000	1	113.4530	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)(H)2	110.8013	0.800	3	110.8013	0.639	3	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CC)(H)2	112.5610	0.000	1	112.5610	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	114.5680	0.000	1	114.5680	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	110.2085	0.730	2	110.2085	0.534	2	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	112.8620	0.000	1	112.8620	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CC)(H)2	113.3820	0.000	1	113.3820	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	111.4900	0.000	1	111.4900	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CN)(H)2	110.9160	0.000	1	110.9160	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC)(H)2	118.5870	0.000	1	118.5870	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)(CN)(H)2	113.6620	0.000	1	113.6620	0.000	1	112.9484	5.434	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NN)(H)2	109.6480	0.774	2	109.6480	0.598	2	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NC)(H)2	124.0760	0.000	1	124.0760	0.000	1	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC)(H)2	114.2878	11.356	18	114.2878	128.966	18	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NC)(H)2	113.4697	1.919	20	113.4697	3.683	20	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NC)(H)2	113.4982	0.188	5	113.4982	0.035	5	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NC)(H)2	113.8640	1.547	2	113.8640	2.394	2	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(NC)(H)2	113.0110	2.130	2	113.0110	4.536	2	113.8238	49.353	50	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CAlHH)(CCHH)(H)2	C(CCHH)(OAl)(H)2	C(CCHH)(CHHO)(H)2	C(CAlHH)(CCHH)(H)2	C(CCHH)(OAl)(H)2	113.4960	0.000	1	113.4960	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(OC)(H)2	114.7910	0.000	1	114.7910	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	113.7450	0.000	1	113.7450	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OC)(H)2	116.1935	1.097	2	116.1935	1.203	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OH)(H)2	111.6615	0.695	2	111.6615	0.483	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(OS)(H)2	111.1590	0.000	1	111.1590	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(OC)(H)2	112.2020	0.000	1	112.2020	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(OH)(H)2	112.4470	0.000	1	112.4470	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(OC)(H)2	113.3596	1.213	5	113.3596	1.471	5	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(OH)(H)2	113.8957	1.032	6	113.8957	1.065	6	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OAl)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OAl)(H)2	115.5570	0.000	1	115.5570	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OC)(H)2	113.5552	3.595	72	113.5552	12.923	72	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OFe)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OFe)(H)2	125.1690	14.845	2	125.1690	220.374	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OH)(H)2	117.3510	8.713	25	117.3510	75.920	25	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(OP)(H)2	114.7517	2.903	9	114.7517	8.425	9	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OB)(H)2	113.7327	1.730	3	113.7327	2.992	3	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OC)(H)2	112.9337	1.465	6	112.9337	2.147	6	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(OH)(H)2	113.6537	0.621	3	113.6537	0.386	3	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OC)(H)2	112.9442	1.805	28	112.9442	3.258	28	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OGe)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OGe)(H)2	112.7800	0.000	1	112.7800	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OH)(H)2	113.1960	0.736	8	113.1960	0.542	8	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(ON)(H)2	112.9656	0.725	8	112.9656	0.526	8	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OP)(H)2	116.7543	1.358	6	116.7543	1.845	6	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(OS)(H)2	115.0875	0.202	2	115.0875	0.041	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(OB)(H)2	113.7647	1.828	4	113.7647	3.342	4	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(OSm)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(OSm)(H)2	113.4040	0.000	1	113.4040	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CCHH)(CN3)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CN3)(H)2	C(CCHH)(OC)(H)2	111.1963	0.330	3	111.1963	0.109	3	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.5860	0.000	2	113.5860	0.000	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	113.5985	0.330	2	113.5985	0.109	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.4680	0.014	2	111.4680	0.000	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(OH)(H)2	110.6820	0.000	1	110.6820	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	111.7055	0.735	2	111.7055	0.540	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(OB)(H)2	113.0400	0.000	1	113.0400	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.6270	2.257	2	111.6270	5.094	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)(OH)(H)2	111.2830	0.000	1	111.2830	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(OO)(H)2	112.4440	0.338	2	112.4440	0.114	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.9270	0.000	1	111.9270	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(OC)(H)2	110.7230	0.000	1	110.7230	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.6430	0.000	1	113.6430	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.0630	1.935	2	111.0630	3.743	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	113.6100	0.000	1	113.6100	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]CN)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]CN)(CCHH)(H)2	C(CCHH)(OH)(H)2	110.9780	0.000	1	110.9780	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.5170	0.000	1	111.5170	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OH)(H)2	114.2610	0.850	2	114.2610	0.722	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OO)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(OO)(H)2	113.2060	0.000	1	113.2060	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(OC)(H)2	109.0990	0.000	1	109.0990	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(OC)(H)2	117.0400	0.000	1	117.0400	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(OTi)(H)2	C(CCHH)(CHHO)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(OTi)(H)2	128.4340	0.000	1	128.4340	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CFeHH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CCHH)(CHHO)(H)2	C(CFeHH)(CCHH)(H)2	C(CCHH)(OSi)(H)2	112.9500	0.000	1	112.9500	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CHHO)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(OC)(H)2	112.8260	0.000	1	112.8260	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(OB)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(OB)(H)2	112.7030	0.000	3	112.7030	0.000	3	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(OZr)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(OZr)(H)2	113.8440	0.000	1	113.8440	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(OSm)(H)2	C(CCHH)(CHHO)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(OSm)(H)2	113.5640	0.000	1	113.5640	0.000	1	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	113.8346	1.591	5	113.8346	2.531	5	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(CTeHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	C(CCHH)(CHHO)(H)2	C(CTeHH)(CCHH)(H)2	C(CCHH)(OP)(H)2	115.2630	0.024	2	115.2630	0.001	2	113.9627	17.423	246	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SC)(H)2	111.9470	1.703	8	111.9470	2.900	8	113.2469	4.309	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SP)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SP)(H)2	113.0080	0.000	1	113.0080	0.000	1	113.2469	4.309	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SC)(H)2	113.8775	1.996	20	113.8775	3.985	20	113.2469	4.309	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SP)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SP)(H)2	112.2595	3.125	2	112.2595	9.764	2	113.2469	4.309	31	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(SeP)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(SeP)(H)2	112.2946	1.766	5	112.2946	3.118	5	112.2946	3.118	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CH)(H)2	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NC)(H)2	112.6837	1.920	3	112.6837	3.687	3	113.7886	4.190	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NC)(H)2	115.1070	0.000	1	115.1070	0.000	1	113.7886	4.190	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NC)(H)2	115.7850	0.000	1	115.7850	0.000	1	113.7886	4.190	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(OC)(H)2	109.6620	0.000	1	109.6620	0.000	1	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(OH)(H)2	111.1043	0.636	3	111.1043	0.404	3	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(OH)(H)2	114.6820	0.000	1	114.6820	0.000	1	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(OP)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(OP)(H)2	111.9560	0.000	1	111.9560	0.000	1	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(ND3)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(ND3)(H)2	C(CCHH)(OC)(H)2	114.6660	0.000	1	114.6660	0.000	1	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(OC)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(OC)(H)2	114.9560	0.000	1	114.9560	0.000	1	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(OH)(H)2	111.6498	1.779	4	111.6498	3.166	4	112.1528	3.766	12	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NBCC)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NBCC)(H)2	C(CCHH)(SC)(H)2	111.6990	0.000	1	111.6990	0.000	1	109.9245	6.298	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(SC)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(SC)(H)2	108.1500	0.000	1	108.1500	0.000	1	109.9245	6.298	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(CCHH)(PNOS)(H)2	C(CCHH)(NN)(H)2	C(CHHN)(CHHP)(H)2	C(CCHH)(PNOS)(H)2	C(CCHH)(NN)(H)2	111.2630	0.535	2	111.2630	0.286	2	111.2630	0.286	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(OC)(H)2	110.7690	0.951	4	110.7690	0.904	4	110.8170	1.044	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(OH)(H)2	109.7990	0.000	1	109.7990	0.000	1	110.8170	1.044	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(OH)(H)2	112.0270	0.000	1	112.0270	0.000	1	110.8170	1.044	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(SS)(H)2	C(CHHP)(CHHS)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(SS)(H)2	112.1700	0.000	1	112.1700	0.000	1	112.1700	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CN)(H)2	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(CN)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(CN)(H)2	112.9190	1.487	8	112.9190	2.211	8	112.9190	2.211	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CSiHH)(CHHO)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(OP)(H)2	C(CSiHH)(CHHO)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(OP)(H)2	112.2473	1.389	3	112.2473	1.930	3	112.2473	1.930	3	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(SC)(H)2	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(SC)(H)2	113.4880	0.072	2	113.4880	0.005	2	112.5388	0.593	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(SH)(H)2	C(CSiHH)(CHHS)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(SH)(H)2	112.0643	0.292	4	112.0643	0.085	4	112.5388	0.593	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[3x6]HH)(CHHO)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[3x6]HH)(CHHO)(H)2	C(C[3x6]C[4x6]C[6,6]C[6])(CCHH)(H)2	C(CCHH)(OC)(H)2	112.0910	0.634	2	112.0910	0.401	2	112.0910	0.401	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[4]HH)(CHHO)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CC[4]HH)(CHHO)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)(OSi)(H)2	113.4210	0.000	1	113.4210	0.000	1	113.4210	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(OC)(H)2	110.2600	0.649	2	110.2600	0.421	2	112.5771	3.117	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(OSi)(H)2	113.2905	1.199	4	113.2905	1.438	4	112.5771	3.117	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	114.6340	0.000	1	114.6340	0.000	1	112.5771	3.117	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5,6]HH)(CHHO)(H)2	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C(CCHH)(OH)(H)2	112.3010	0.000	1	112.3010	0.000	1	112.5771	3.117	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(OC)(H)2	116.5150	0.000	1	116.5150	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	110.7340	0.000	1	110.7340	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(OH)(H)2	115.4510	0.000	1	115.4510	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)(OH)(H)2	111.0160	0.000	1	111.0160	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.0710	0.000	1	112.0710	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(OSi)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(OSi)(H)2	114.7410	0.000	1	114.7410	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.0150	0.168	2	113.0150	0.028	2	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	115.2790	0.000	1	115.2790	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C(CCHH)(OH)(H)2	112.0950	0.000	1	112.0950	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[5]HH)(CHHO)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CCHH)(OC)(H)2	112.1850	0.000	1	112.1850	0.000	1	113.2834	3.715	11	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[3,6]C[6,6]H)(CCHH)(H)2	C(CCHH)(CN)(H)2	113.3490	0.000	1	113.3490	0.000	1	113.3490	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2S)(CCHH)(H)2	C(CCHH)(NN)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2S)(CCHH)(H)2	C(CCHH)(NN)(H)2	110.7280	0.699	4	110.7280	0.489	4	110.7280	0.489	4	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.2060	0.000	1	113.2060	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.2010	0.000	1	111.2010	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.5830	0.000	1	113.5830	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(OC)(H)2	107.7510	0.000	1	107.7510	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(OP)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(OP)(H)2	113.4670	0.000	1	113.4670	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(ORu)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(ORu)(H)2	114.5300	0.000	1	114.5300	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.3160	0.000	1	112.3160	0.000	1	112.2934	5.117	7	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	109.1507	0.902	3	109.1507	0.814	3	109.7558	1.166	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	110.2820	0.000	1	110.2820	0.000	1	109.7558	1.166	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(NRhCC)(CCHH)(H)2	C(CCHH)(CC)(H)2	111.0450	0.000	1	111.0450	0.000	1	109.7558	1.166	5	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NC)(H)2	110.0220	0.000	1	110.0220	0.000	1	110.0220	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(OH)(H)2	112.1977	1.672	4	112.1977	2.796	4	113.1840	2.342	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NZnHH)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHN)(CHHO)(H)2	C(NZnHH)(CCHH)(H)2	C(CCHH)(OH)(H)2	114.1703	0.274	4	114.1703	0.075	4	113.1840	2.342	8	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(SNi)(H)2	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(SNi)(H)2	113.2875	0.780	2	113.2875	0.608	2	113.2875	0.608	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CN)(H)2	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Cr)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Cr)(CCHH)(H)2	C(CCHH)(CC)(H)2	111.0553	0.526	6	111.0553	0.277	6	111.0553	0.277	6	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NC)(H)2	113.6970	0.000	1	113.6970	0.000	1	113.6970	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(OC)(H)2	111.8082	1.305	12	111.8082	1.702	12	112.3704	3.069	20	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(OH)(H)2	C(CHHO)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(OH)(H)2	113.2325	0.238	4	113.2325	0.057	4	112.3704	3.069	20	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	C(CCHH)(OC)(H)2	C(CHHO)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	C(CCHH)(OC)(H)2	113.1947	3.159	4	113.1947	9.982	4	112.3704	3.069	20	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(SH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(SH)(H)2	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CCHH)(CC)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6a]2O)(CCHH)(H)2	C(CCHH)(CC)(H)2	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(H)2	C(SMn2C)(CCHH)(H)2	C(CCHH)(SC)(H)2	C(CHHS)2(H)2	C(SMn2C)(CCHH)(H)2	C(CCHH)(SC)(H)2	110.4275	0.524	2	110.4275	0.275	2	110.4275	0.275	2	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CSiHH)(CHHS)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)(SH)(H)2	C(CSiHH)(CHHS)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)(SH)(H)2	113.5542	2.179	4	113.5542	4.746	4	113.5542	4.746	4	113.3723	15.328	511	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C(CCHH)(CHOO)(H)2	C(CBrCC)(CCHH)(H)2	C(CCHH)(OC)(OH)(H)	C(CCHH)(CHOO)(H)2	C(CBrCC)(CCHH)(H)2	C(CCHH)(OC)(OH)(H)	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	112.7993	4.023	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C(CC[6]HH)(CHOO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(OC)2(H)	C(CC[6]HH)(CHOO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(OC)2(H)	111.8317	0.646	3	111.8317	0.417	3	111.8317	0.417	3	112.7993	4.023	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:C-2:O-2:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CC)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CC)2(OC)	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCH)(H)2	116.3830	0.000	1	116.3830	0.000	1	116.3830	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(CCHH)(Cl)(H)	C(CBrCH)(NCH)(H)2	C(CClCH)(CHHN)(Br)(H)	C(CBrCH)(CCHH)(Cl)(H)	C(CBrCH)(NCH)(H)2	115.6750	0.000	1	115.6750	0.000	1	115.6750	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:N-3:H-1:H-1:	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(NCH)(H)2	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(NCH)(H)2	115.6170	0.000	1	115.6170	0.000	1	115.6170	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(Cl)(H)	C(CC[5]HH)(CClCH)(H)2	C(CClCH)(CCI)(H)2	C(CCHH)2(Cl)(H)	C(CC[5]HH)(CClCH)(H)2	C(CClCH)(CCI)(H)2	114.3970	0.000	1	114.3970	0.000	1	112.7155	2.119	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(Cl)(H)	C(CClCH)(CCCO)(H)2	C(CClCH)(CCC)(H)2	C(CCHH)2(Cl)(H)	C(CClCH)(CCCO)(H)2	C(CClCH)(CCC)(H)2	111.4985	0.011	2	111.4985	0.000	2	112.7155	2.119	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(CCO)(H)2	C(CCHH)2(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(CCO)(H)2	113.4680	0.000	1	113.4680	0.000	1	112.7155	2.119	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:S-3:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(SNO)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(SNO)(F)2	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CBHH)(CHHN)(H)2	C(BC[6a]2C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CBHH)(CHHN)(H)2	C(BC[6a]2C)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.6330	0.000	1	114.6330	0.000	1	114.6330	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)(CHH)(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)(CHH)(H)2	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CCHH)(CCH)(H)2	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CCHH)(CCH)(H)2	114.4772	1.223	4	114.4772	1.496	4	114.3050	1.271	5	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	C(CCHH)(CCO)(H)2	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	C(CCHH)(CCO)(H)2	113.6160	0.000	1	113.6160	0.000	1	114.3050	1.271	5	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:Cl-1:H-1:	C(CClCH)2(H)2	C(CBrCC)(CCHH)(Cl)(H)	C(CCHH)(CCC)(Cl)(H)	C(CClCH)2(H)2	C(CBrCC)(CCHH)(Cl)(H)	C(CCHH)(CCC)(Cl)(H)	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-3:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CCH)(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CCH)(H)2	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(CCFF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCC)(F)2	C(CCFF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCC)(F)2	113.3455	0.127	2	113.3455	0.016	2	113.3455	0.016	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.6990	0.000	1	114.6990	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	126.0170	0.000	1	126.0170	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	113.9455	1.601	6	113.9455	2.563	6	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.0020	0.000	1	114.0020	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCN)(H)2	115.3840	0.000	1	115.3840	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	110.8178	5.069	4	110.8178	25.697	4	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	113.0020	0.000	3	113.0020	0.000	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.1490	0.000	1	112.1490	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	116.3250	0.000	1	116.3250	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(COO)(H)2	113.9975	1.094	2	113.9975	1.197	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCH)(H)2	112.4150	0.000	1	112.4150	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCO)(H)2	113.0760	0.000	1	113.0760	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCH)(H)2	114.0480	0.928	2	114.0480	0.861	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(COO)(H)2	111.6070	0.000	1	111.6070	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCC)(H)2	117.1028	0.740	4	117.1028	0.547	4	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCH)(H)2	114.5842	0.575	6	114.5842	0.331	6	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCN)(H)2	116.4465	0.411	2	116.4465	0.169	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCO)(H)2	114.5914	1.248	5	114.5914	1.556	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(COO)(H)2	115.1192	2.075	5	115.1192	4.307	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)(CHH)(H)2	116.1650	0.000	1	116.1650	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHH)(H)2	127.5416	19.101	5	127.5416	364.852	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHN)(H)2	113.0960	0.000	1	113.0960	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CNN)(H)2	112.5675	0.598	4	112.5675	0.357	4	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CNO)(H)2	113.4896	1.221	8	113.4896	1.492	8	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(COO)(H)2	113.1687	1.118	6	113.1687	1.249	6	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCH)(H)2	113.8435	1.033	6	113.8435	1.067	6	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCO)(H)2	113.4620	0.000	1	113.4620	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHN)(H)2	112.7020	0.000	1	112.7020	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CNO)(H)2	113.4715	0.487	2	113.4715	0.237	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)(H)2	112.7751	0.707	8	112.7751	0.499	8	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCH)(H)2	109.4934	10.365	3	109.4934	107.440	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCO)(H)2	116.0970	0.000	1	116.0970	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CCH)(H)2	112.6732	0.901	8	112.6732	0.811	8	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(COO)(H)2	115.0820	0.000	1	115.0820	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CCN)(H)2	113.6800	0.000	1	113.6800	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	111.9170	0.000	1	111.9170	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	112.6000	0.000	1	112.6000	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	115.8930	0.000	1	115.8930	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	112.8865	0.194	2	112.8865	0.038	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	115.0380	0.000	1	115.0380	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	115.2916	1.167	5	115.2916	1.362	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.2526	1.954	9	112.2526	3.819	9	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCN)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CCN)(H)2	113.0120	0.000	1	113.0120	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.3835	0.261	2	114.3835	0.068	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CCC)(H)2	112.0750	0.000	1	112.0750	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.0673	1.020	3	112.0673	1.041	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.2140	0.000	1	114.2140	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	113.9400	1.218	2	113.9400	1.483	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CHH)(H)2	120.2080	0.000	1	120.2080	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(COO)(H)2	110.9060	1.662	2	110.9060	2.761	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.7745	0.558	2	114.7745	0.311	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	113.4337	0.195	3	113.4337	0.038	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHH)(H)2	117.7760	0.000	1	117.7760	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	115.0655	0.405	2	115.0655	0.164	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCO)(H)2	115.0975	0.561	2	115.0975	0.314	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	113.4240	0.000	1	113.4240	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CSeC)(H)2	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)(CSeC)(H)2	110.2320	0.000	1	110.2320	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	115.1110	0.000	1	115.1110	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)(CMoH)(H)2	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)(CMoH)(H)2	102.4330	0.000	2	102.4330	0.000	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.1108	1.444	5	114.1108	2.084	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.0143	0.281	3	112.0143	0.079	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CRuH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CRuH)(H)2	113.8010	0.000	1	113.8010	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.1350	0.000	1	113.1350	0.000	1	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CNO)(H)2	115.2595	2.068	2	115.2595	4.278	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	115.3695	1.749	2	115.3695	3.058	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(COO)(H)2	112.5173	0.932	3	112.5173	0.869	3	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	113.6372	0.810	4	113.6372	0.656	4	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.4394	1.174	5	114.4394	1.379	5	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CPtHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CPtHH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.2340	0.243	2	113.2340	0.059	2	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)(CCH)(H)2	113.9675	0.559	8	113.9675	0.312	8	113.9859	19.435	189	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(NCH)(H)2	115.1550	0.000	1	115.1550	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(NClS)(H)2	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(NClS)(H)2	111.2330	0.000	1	111.2330	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHI)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHI)(H)2	C(CCHH)(NCH)(H)2	118.1260	0.000	1	118.1260	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCH)(H)2	112.0252	2.183	55	112.0252	4.764	55	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCO)(H)2	114.8220	2.680	3	114.8220	7.184	3	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CF3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CF3)(H)2	C(CCHH)(NCH)(H)2	113.4820	0.000	1	113.4820	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NBC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NBC)(H)2	111.3040	0.000	1	111.3040	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCC)(H)2	111.5291	2.952	66	111.5291	8.713	66	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCH)(H)2	113.2004	2.918	96	113.2004	8.517	96	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCN)(H)2	115.2745	2.719	2	115.2745	7.392	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCS)(H)2	111.5780	0.000	1	111.5780	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCW)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NCW)(H)2	112.2712	1.461	4	112.2712	2.134	4	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NHH)(H)2	113.3560	0.000	1	113.3560	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NHS)(H)2	113.3310	0.976	2	113.3310	0.952	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NAlC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NAlC)(H)2	111.9164	0.318	5	111.9164	0.101	5	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NAuC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NAuC)(H)2	114.6702	1.330	6	114.6702	1.769	6	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NBeC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NBeC)(H)2	117.4425	0.009	2	117.4425	0.000	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCC)(H)2	112.9826	1.720	21	112.9826	2.959	21	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCH)(H)2	112.8622	1.540	74	112.8622	2.372	74	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCP)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCP)(H)2	114.3205	1.524	2	114.3205	2.322	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCS)(H)2	114.1757	2.578	3	114.1757	6.645	3	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCoC)(H)2	114.4050	2.224	12	114.4050	4.945	12	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCuC)(H)2	115.5615	2.096	27	115.5615	4.392	27	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHH)(H)2	114.2815	3.897	4	114.2815	15.186	4	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHP)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHP)(H)2	112.0640	0.000	1	112.0640	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NHS)(H)2	111.3790	0.000	1	111.3790	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NMnC)(H)2	116.3040	0.826	4	116.3040	0.682	4	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NNiC)(H)2	114.0710	1.243	10	114.0710	1.545	10	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NPdC)(H)2	113.9651	2.228	9	113.9651	4.962	9	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NReC)(H)2	117.4398	0.429	4	117.4398	0.184	4	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NZnC)(H)2	114.2168	1.767	6	114.2168	3.121	6	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NCH)(H)2	113.3573	1.909	3	113.3573	3.644	3	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.4355	0.325	2	112.4355	0.105	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	113.4170	0.000	1	113.4170	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.6600	0.000	1	113.6600	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.9820	1.240	2	113.9820	1.538	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	112.8605	0.523	8	112.8605	0.274	8	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCS)(H)2	114.1490	0.000	1	114.1490	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.8863	1.525	6	114.8863	2.325	6	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.6860	0.000	1	113.6860	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	110.1920	3.917	2	110.1920	15.346	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.1290	1.503	3	112.1290	2.260	3	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	113.2950	0.000	1	113.2950	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	115.6720	0.000	1	115.6720	0.000	1	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	C(CCHH)(CHHN)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	113.9950	0.737	2	113.9950	0.543	2	113.1014	6.517	460	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(PCC)(H)2	113.7250	1.607	5	113.7250	2.584	5	113.8020	1.143	15	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCC)(H)2	113.8405	0.791	10	113.8405	0.625	10	113.8020	1.143	15	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SCC)(H)2	111.7453	0.510	3	111.7453	0.260	3	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SYY)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(SYY)(H)2	110.5630	0.000	1	110.5630	0.000	1	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCC)(H)2	110.5677	2.628	6	110.5677	6.907	6	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCO)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCO)(H)2	113.2500	0.000	1	113.2500	0.000	1	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCoC)(H)2	115.5875	0.210	2	115.5875	0.044	2	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SFe2)(H)2	113.6080	1.421	6	113.6080	2.021	6	112.3831	5.544	19	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Ge-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CGeHH)(CHHN)(H)2	C(CCHH)(GeC3)(H)2	C(CCHH)(NCC)(H)2	C(CGeHH)(CHHN)(H)2	C(CCHH)(GeC3)(H)2	C(CCHH)(NCC)(H)2	116.4357	2.008	3	116.4357	4.034	3	116.4357	4.034	3	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CNO)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CNO)(H)2	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NCC)(H)2	108.5760	0.477	2	108.5760	0.227	2	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NCH)(H)2	110.1273	2.084	6	110.1273	4.344	6	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NHS)(H)2	109.7740	0.000	1	109.7740	0.000	1	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCC)(H)2	112.8241	2.305	16	112.8241	5.312	16	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCH)(H)2	111.8866	1.696	8	111.8866	2.875	8	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCuC)(H)2	112.8790	1.328	3	112.8790	1.763	3	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NNiC)(H)2	111.4896	4.895	5	111.4896	23.957	5	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NZnC)(H)2	111.0280	0.471	9	111.0280	0.222	9	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCC)(H)2	114.3291	1.019	11	114.3291	1.039	11	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCH)(H)2	113.5680	1.468	22	113.5680	2.154	22	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCS)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCS)(H)2	113.4680	2.103	2	113.4680	4.422	2	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCoC)(H)2	109.7800	0.000	1	109.7800	0.000	1	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NFeC)(H)2	114.3380	0.000	1	114.3380	0.000	1	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NPtC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NPtC)(H)2	116.3280	0.000	1	116.3280	0.000	1	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NZnC)(H)2	113.4540	2.744	3	113.4540	7.531	3	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NHH)(H)2	112.6672	1.929	4	112.6672	3.720	4	112.6088	5.338	95	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C(CHHP)2(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(PCC)(H)2	112.9980	0.000	1	112.9980	0.000	1	112.5090	0.478	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C(CHHP)2(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(PCC)(H)2	112.0200	0.000	1	112.0200	0.000	1	112.5090	0.478	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:F-1:F-1:	C-4:C-3:H-1:H-1:	C(CSiFF)(CCHH)(H)2	C(CCHH)(SiC3)(F)2	C(CCHH)(CNO)(H)2	C(CSiFF)(CCHH)(H)2	C(CCHH)(SiC3)(F)2	C(CCHH)(CNO)(H)2	112.5130	0.000	1	112.5130	0.000	1	112.5130	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(NCH)(H)2	114.3220	0.000	1	114.3220	0.000	1	112.3625	7.131	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(NCC)(H)2	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(NCC)(H)2	108.4610	0.000	1	108.4610	0.000	1	112.3625	7.131	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(NCH)(H)2	113.3335	0.667	2	113.3335	0.445	2	112.3625	7.131	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CCHH)(COO)(H)2	110.9522	1.513	6	110.9522	2.288	6	112.1303	5.011	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.4140	0.000	1	114.4140	0.000	1	112.1303	5.011	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	113.1710	0.000	1	113.1710	0.000	1	112.1303	5.011	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)(CCO)(H)2	115.8750	0.000	1	115.8750	0.000	1	112.1303	5.011	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[3]HH)(CHHN)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CC[3]HH)(CHHN)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(NCS)(H)2	111.6270	0.000	1	111.6270	0.000	1	111.6270	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[4]HH)(CHHN)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.4699	1.534	8	114.4699	2.353	8	114.4699	2.353	8	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[4x5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[4x5,6]HH)(CHHN)(H)2	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[4x5,6]HH)(CHHN)(H)2	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,3x6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,3x6]HH)(CHHN)(H)2	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5,3x6]HH)(CHHN)(H)2	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	117.1258	1.011	4	117.1258	1.023	4	117.1258	1.023	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,5,3x6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CC[5,5,3x6]HH)(CHHN)(H)2	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C(CCHH)(NCS)(H)2	111.1520	0.000	1	111.1520	0.000	1	111.1520	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C(CCHH)(NHO)(H)2	C(CC[5,5,6,6]HH)(CHHN)(H)2	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C(CCHH)(NHO)(H)2	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,6,6]HH)(CHHN)(H)2	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C(CCHH)(NOS)(H)2	C(CC[5,6,6]HH)(CHHN)(H)2	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C(CCHH)(NOS)(H)2	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.5350	0.000	1	114.5350	0.000	1	116.1400	5.152	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CCH)(H)2	117.7450	0.000	1	117.7450	0.000	1	116.1400	5.152	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5,6]HH)(CHHN)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.9996	2.040	7	114.9996	4.160	7	114.9996	4.160	7	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCHH)(CHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCHH)(CHO)(H)2	113.0750	0.000	1	113.0750	0.000	1	114.6582	3.925	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	115.8840	3.263	3	115.8840	10.647	3	114.6582	3.925	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CCO)(H)2	114.7327	0.355	3	114.7327	0.126	3	114.6582	3.925	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CNO)(H)2	113.7640	0.000	1	113.7640	0.000	1	114.6582	3.925	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(CCC)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(CCC)(H)2	113.2350	0.000	1	113.2350	0.000	1	114.6582	3.925	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	115.3468	4.005	4	115.3468	16.040	4	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CCHH)(NCH)(H)2	116.3890	0.000	1	116.3890	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(NCS)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(NCS)(H)2	113.5860	0.000	1	113.5860	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(NCC)(H)2	116.1670	0.257	2	116.1670	0.066	2	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(NCH)(H)2	113.4650	0.000	1	113.4650	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(NIrS)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(NIrS)(H)2	113.8697	1.868	4	113.8697	3.489	4	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(NRhH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(NRhH)(H)2	114.0900	0.000	1	114.0900	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(NRhS)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(NRhS)(H)2	115.5990	0.000	1	115.5990	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CCHH)(NTiS)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CCHH)(NTiS)(H)2	113.1320	0.000	1	113.1320	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.3250	0.000	1	112.3250	0.000	1	114.5756	5.126	17	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]BrH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(CCHH)(CCH)(H)2	C(CC[6]BrH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(CCHH)(CCH)(H)2	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(COO)(H)2	113.2180	0.000	1	113.2180	0.000	1	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	114.5765	2.129	2	114.5765	4.533	2	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CNO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CNO)(H)2	111.3835	0.855	2	111.3835	0.731	2	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	117.3450	0.000	1	117.3450	0.000	1	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.5440	0.000	1	112.5440	0.000	1	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.0100	0.549	2	112.0100	0.301	2	113.2274	4.549	9	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	C(CCHH)(NHH)(H)2	109.4590	0.000	1	109.4590	0.000	1	111.6579	3.667	7	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6,6a]2O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6,6a]2O)(CCHH)(H)2	C(CCHH)(NCC)(H)2	111.2170	1.390	2	111.2170	1.933	2	111.6579	3.667	7	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NCC)(H)2	111.6603	1.644	3	111.6603	2.702	3	111.6579	3.667	7	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(NRuS)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(NRuS)(H)2	114.7310	0.000	1	114.7310	0.000	1	111.6579	3.667	7	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(ORu2)(H)2	C(CC[6]HH)(CHHO)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(ORu2)(H)2	120.1650	3.325	2	120.1650	11.054	2	120.1650	11.054	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CC[6]HH)(CHHS)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(SRuC)(H)2	C(CC[6]HH)(CHHS)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(SRuC)(H)2	114.6125	0.827	2	114.6125	0.683	2	114.6125	0.683	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHN)(H)2	C(NReCC)(CCHH)(H)2	C(CCHH)(COO)(H)2	109.5843	1.048	3	109.5843	1.099	3	109.5843	1.099	3	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	C(CCHH)(NAlC)(H)2	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	C(CCHH)(NAlC)(H)2	113.8480	0.000	1	113.8480	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]CoH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(NC[6]CoH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	116.8160	0.000	1	116.8160	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	112.1780	4.434	2	112.1780	19.656	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	113.3920	3.316	2	113.3920	10.998	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	115.5300	0.000	1	115.5300	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	115.8104	0.349	5	115.8104	0.122	5	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	112.4240	0.051	2	112.4240	0.003	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]NiH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NC[6]NiH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	113.4070	0.000	1	113.4070	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(CCHH)(NCdC)(H)2	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(CCHH)(NCdC)(H)2	114.8855	0.165	2	114.8855	0.027	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	115.3219	1.349	10	115.3219	1.821	10	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	113.0380	0.000	1	113.0380	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	114.3339	1.022	17	114.3339	1.044	17	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NHH)(H)2	116.6500	0.000	1	116.6500	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	113.6184	0.834	5	113.6184	0.695	5	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(NCoH)(H)2	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(NCoH)(H)2	111.3080	0.000	1	111.3080	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(CCHH)(NCrC)(H)2	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(CCHH)(NCrC)(H)2	115.4100	0.000	1	115.4100	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCC)(H)2	116.8755	0.964	2	116.8755	0.929	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCH)(H)2	111.0420	0.000	1	111.0420	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	114.6756	1.429	24	114.6756	2.042	24	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NCH)(H)2	116.0795	0.721	2	116.0795	0.519	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	116.6556	6.129	19	116.6556	37.564	19	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(NHH)(H)2	113.2760	0.000	1	113.2760	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	114.2760	0.000	1	114.2760	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	111.3275	3.718	4	111.3275	13.825	4	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	115.2404	0.804	19	115.2404	0.647	19	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	115.1222	1.256	50	115.1222	1.578	50	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NMgCH)(CCHH)(H)2	C(CCHH)(NMgC)(H)2	C(CHHN)2(H)2	C(NMgCH)(CCHH)(H)2	C(CCHH)(NMgC)(H)2	116.4120	0.313	4	116.4120	0.098	4	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	114.9572	0.640	4	114.9572	0.409	4	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	111.0695	0.197	2	111.0695	0.039	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	115.1164	0.874	96	115.1164	0.763	96	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	C(CCHH)(NMnH)(H)2	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	C(CCHH)(NMnH)(H)2	113.3250	0.000	1	113.3250	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	115.3284	1.063	20	115.3284	1.131	20	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	115.0389	2.033	21	115.0389	4.133	21	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	116.1062	1.169	6	116.1062	1.367	6	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(CCHH)(NNiH)(H)2	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(CCHH)(NNiH)(H)2	115.1110	2.568	2	115.1110	6.596	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(NPdC)(H)2	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(NPdC)(H)2	116.5187	0.973	3	116.5187	0.947	3	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	C(CCHH)(NCC)(H)2	112.4050	0.000	1	112.4050	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	C(CCHH)(NPtC)(H)2	114.2152	2.194	23	114.2152	4.813	23	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	C(CCHH)(NHS)(H)2	113.9050	0.000	1	113.9050	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(NCC)(H)2	108.7410	0.000	1	108.7410	0.000	1	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	114.7135	1.207	2	114.7135	1.457	2	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	117.1579	3.510	7	117.1579	12.318	7	115.0065	4.533	370	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NAlCH)(CCHH)(H)2	C(CCHH)(OAl2)(H)2	C(CHHN)(CHHO)(H)2	C(NAlCH)(CCHH)(H)2	C(CCHH)(OAl2)(H)2	115.0360	0.000	1	115.0360	0.000	1	114.8871	6.497	8	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(OCuH)(H)2	C(CHHN)(CHHO)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(OCuH)(H)2	112.3130	0.445	2	112.3130	0.198	2	114.8871	6.497	8	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(OCu2)(H)2	C(CHHN)(CHHO)(H)2	C(NCuHH)(CCHH)(H)2	C(CCHH)(OCu2)(H)2	113.6120	0.000	1	113.6120	0.000	1	114.8871	6.497	8	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(OFe2)(H)2	C(CHHN)(CHHO)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(OFe2)(H)2	116.4557	2.617	4	116.4557	6.847	4	114.8871	6.497	8	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6a]HgC)(CCHH)(H)2	C(CCHH)(SHgC)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6a]HgC)(CCHH)(H)2	C(CCHH)(SHgC)(H)2	116.8615	1.223	2	116.8615	1.495	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	C(CHHN)(CHHS)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	117.2705	1.142	2	117.2705	1.304	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	C(CHHN)(CHHS)(H)2	C(NCuCH)(CCHH)(H)2	C(CCHH)(SCuC)(H)2	118.4890	2.773	4	118.4890	7.688	4	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)(SFeC)(H)2	C(CHHN)(CHHS)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)(SFeC)(H)2	116.3623	0.881	3	116.3623	0.777	3	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NIrCC)(CCHH)(H)2	C(CCHH)(SIrC)(H)2	C(CHHN)(CHHS)(H)2	C(NIrCC)(CCHH)(H)2	C(CCHH)(SIrC)(H)2	113.7490	0.578	2	113.7490	0.335	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NIrCH)(CCHH)(H)2	C(CCHH)(SIrC)(H)2	C(CHHN)(CHHS)(H)2	C(NIrCH)(CCHH)(H)2	C(CCHH)(SIrC)(H)2	114.4200	0.597	3	114.4200	0.356	3	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(SNi2)(H)2	C(CHHN)(CHHS)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(SNi2)(H)2	114.1610	0.427	2	114.1610	0.182	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(SNiC)(H)2	C(CHHN)(CHHS)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(SNiC)(H)2	114.2943	0.661	4	114.2943	0.437	4	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NRhCH)(CCHH)(H)2	C(CCHH)(SRhC)(H)2	C(CHHN)(CHHS)(H)2	C(NRhCH)(CCHH)(H)2	C(CCHH)(SRhC)(H)2	115.6510	1.549	2	115.6510	2.398	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NRuCH)(CCHH)(H)2	C(CCHH)(SRuC)(H)2	C(CHHN)(CHHS)(H)2	C(NRuCH)(CCHH)(H)2	C(CCHH)(SRuC)(H)2	114.8355	1.501	2	114.8355	2.254	2	115.7130	4.053	26	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Co)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Co)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	115.3475	0.234	2	115.3475	0.055	2	112.3050	4.289	12	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	112.8205	0.542	4	112.8205	0.294	4	112.3050	4.289	12	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NCuC)(H)2	112.8625	1.965	2	112.8625	3.861	2	112.3050	4.289	12	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NHS)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NHS)(H)2	109.4120	0.000	1	109.4120	0.000	1	112.3050	4.289	12	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NZnC)(H)2	110.1820	0.381	3	110.1820	0.145	3	112.3050	4.289	12	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(COO)(H)2	110.8180	0.000	1	110.8180	0.000	1	111.1900	0.277	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PFe2H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CCHH)(CHHP)(H)2	C(PFe2H)(CCHH)(H)2	C(CCHH)(CCH)(H)2	111.5620	0.000	1	111.5620	0.000	1	111.1900	0.277	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Co)(CCHH)(H)2	C(CCHH)(NCoC)(H)2	113.7080	1.403	4	113.7080	1.968	4	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NCH)(H)2	114.5370	0.297	2	114.5370	0.088	2	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(NFeC)(H)2	114.3445	0.839	4	114.3445	0.704	4	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mn)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mn)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	113.8088	1.080	10	113.8088	1.167	10	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)(NMoC)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)(NMoC)(H)2	114.4299	0.814	7	114.4299	0.662	7	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(NCH)(H)2	114.5230	0.000	1	114.5230	0.000	1	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(NCH)(H)2	111.4450	0.000	1	111.4450	0.000	1	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	C(CCHH)(NHH)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	C(CCHH)(NHH)(H)2	111.6780	0.000	1	111.6780	0.000	1	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	C(CHHN)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)(NNiC)(H)2	112.6133	0.378	3	112.6133	0.143	3	113.8142	1.336	33	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(SCu2)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(SCu2)(H)2	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CP[6,6]HH)(CHHN)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CCHH)(NCC)(H)2	C(CP[6,6]HH)(CHHN)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CCHH)(NCC)(H)2	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(H)2	C(SFe2O)(CCHH)(H)2	C(CCHH)(SFe2)(H)2	C(CHHS)2(H)2	C(SFe2O)(CCHH)(H)2	C(CCHH)(SFe2)(H)2	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	C(CCHH)(CCO)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[6a]3)(CCHH)(H)2	C(CCHH)(CCO)(H)2	113.5930	0.000	1	113.5930	0.000	1	113.2800	0.196	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	C(CSiHH)(CCHH)(H)2	C(SiGe[3,4,4,3x5,4x6]C[6a]2)(CCHH)(H)2	C(CCHH)(CCH)(H)2	112.9670	0.000	1	112.9670	0.000	1	113.2800	0.196	2	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	C(CSiHH)(CHHN)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)(NMnC)(H)2	113.6505	0.322	2	113.6505	0.104	2	114.1598	1.031	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)(NCH)(H)2	C(CSiHH)(CHHN)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)(NCH)(H)2	114.6690	1.397	2	114.6690	1.952	2	114.1598	1.031	4	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:I-1:I-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(I)2	C(CCHH)(CCII)(H)2	C(CCII)(NCH)(H)2	C(CCHH)(CHHN)(I)2	C(CCHH)(CCII)(H)2	C(CCII)(NCH)(H)2	115.4490	0.000	1	115.4490	0.000	1	115.4490	0.000	1	113.8591	8.105	1354	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCC)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCC)(OC)(H)	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CCN)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CCN)(OC)(H)	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[4]HH)(CCHO)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	C(CC[4]HH)(CCHO)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	113.3440	0.000	1	113.3440	0.000	1	113.3440	0.000	1	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	115.5370	0.000	1	115.5370	0.000	1	115.5370	0.000	1	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	112.3730	0.000	1	112.3730	0.000	1	114.4980	9.031	2	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CCC)(OH)(H)	116.6230	0.000	1	116.6230	0.000	1	114.4980	9.031	2	115.1233	8.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:F-1:	C(CCCF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)2(F)	C(CCCF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COO)2(F)	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	111.0905	0.748	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CP[5]HH)(CCHN)(H)2	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	C(CP[5]HH)(CCHN)(H)2	C(P[5]C[5,6a]2B)(CCHH)(H)2	C(CCHH)(COO)(NCH)(H)	110.4790	0.000	1	110.4790	0.000	1	110.4790	0.000	1	111.0905	0.748	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:3:3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C(CCHH)(CN3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NOO)3	C(CCHH)(CN3)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NOO)3	114.6920	0.821	3	114.6920	0.673	3	114.6920	0.673	3	114.5921	0.914	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:3:3:3:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:N-3:N-3:	C(CHHN)(CN3)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NOO)3	C(CHHN)(CN3)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NOO)3	114.5173	1.167	4	114.5173	1.362	4	114.5173	1.362	4	114.5921	0.914	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)2(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CHHO)(Br)(H)	C(CBrCH)2(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CHHO)(Br)(H)	116.4945	4.277	2	116.4945	18.295	2	116.4945	18.295	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	115.9552	1.869	35	115.9552	3.492	35	115.9552	3.492	35	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	117.6635	1.196	2	117.6635	1.430	2	117.6635	1.430	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C[6]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]BrH)(CCHH)(Br)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C(CN[6]HH)(CBrCH)(H)2	C(CC[6]BrH)(CCHH)(Br)(H)	C(C[6]C[6,6a]C[6]H)(CBrCH)(Br)(H)	C(CN[6]HH)(CBrCH)(H)2	113.2700	0.000	1	113.2700	0.000	1	113.2700	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Br)(H)	C(CClCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Br)(H)	C(CClCH)(CCHH)(H)2	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(Cl)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(Cl)(H)	C(CC[6a]HO)(CClCH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	115.7840	0.000	1	115.7840	0.000	1	115.7542	3.359	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	C(CClCH)2(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(Cl)(H)	115.7443	2.245	3	115.7443	5.038	3	115.7542	3.359	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	114.6190	0.000	1	114.6190	0.000	1	115.1647	0.469	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(H)2	115.6350	0.714	2	115.6350	0.510	2	115.1647	0.469	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(H)2	114.7700	0.000	1	114.7700	0.000	1	115.1647	0.469	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(Cl)(H)	111.7685	2.155	2	111.7685	4.642	2	111.7685	4.642	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CBrFF)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CBrFF)(CCFF)(F)2	C(CCFF)2(F)2	114.9645	0.464	6	114.9645	0.216	6	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)2(F)2	116.8427	1.192	16	116.8427	1.421	16	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CCHO)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)(CCHO)(F)2	C(CCFF)(CF3)(F)2	115.3000	0.000	1	115.3000	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	115.1008	1.287	52	115.1008	1.656	52	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CFFH)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)2(F)2	C(CCFF)(CFFH)(F)2	C(CCFF)(CHHO)(F)2	117.9455	0.561	2	117.9455	0.314	2	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CFFI)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CFFI)(F)2	C(CCFF)2(F)2	114.7418	0.536	18	114.7418	0.288	18	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CFFP)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CFFP)(F)2	C(CCFF)2(F)2	114.6046	1.033	5	114.6046	1.067	5	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)2(F)2	115.0700	0.000	1	115.0700	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)(CHHO)(F)2	119.6054	1.332	15	119.6054	1.775	15	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)(CHHO)(F)2	C(CCFF)2(F)2	115.5183	0.853	9	115.5183	0.727	9	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	114.8484	1.037	70	114.8484	1.076	70	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(CCFF)2(F)2	113.3710	0.124	2	113.3710	0.015	2	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[5]HH)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CC[5]HH)(CCFF)(F)2	C(CCFF)(CF3)(F)2	117.6930	0.000	1	117.6930	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[5]HO)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CC[5]HO)(CCFF)(F)2	C(CCFF)(CF3)(F)2	116.7150	0.000	1	116.7150	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CC[5a]FF)(CCFF)(F)2	C(CCFF)2(F)2	114.6484	0.351	7	114.6484	0.123	7	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[6a]CO)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CC[6a]CO)(CCFF)(F)2	C(CCFF)(CF3)(F)2	115.8510	1.844	2	115.8510	3.401	2	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CC[6a]FF)(CCFF)(F)2	C(CCFF)2(F)2	115.0406	1.040	18	115.0406	1.081	18	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CC[6a]HH)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CC[6a]HH)(CCFF)(F)2	C(CCFF)2(F)2	117.0890	1.427	2	117.0890	2.036	2	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CIrFF)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CIrFF)(CCFF)(F)2	C(CCFF)2(F)2	119.3420	0.000	1	119.3420	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)2(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)(CF3)(F)2	116.0850	0.000	1	116.0850	0.000	1	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)2(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)2(F)2	C(CN[6]HH)(CCFF)(F)2	C(CCFF)2(F)2	115.9765	0.861	2	115.9765	0.741	2	115.4740	2.768	232	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:S-4:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(SO3)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(SO3)(F)2	115.4427	1.834	3	115.4427	3.365	3	115.4427	3.365	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)2(F)2	113.4622	0.797	5	113.4622	0.636	5	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CCFF)(CCHO)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CCHO)(H)2	C(CCFF)2(F)2	113.5340	0.000	1	113.5340	0.000	1	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CCFF)(CHHS)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CHHS)(H)2	C(CCFF)2(F)2	115.6866	2.539	5	115.6866	6.447	5	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CC[5]HH)(CCFF)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CC[5]HH)(CCFF)(H)2	C(CCFF)2(F)2	114.3540	0.460	2	114.3540	0.211	2	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CC[6a]CC)(CCFF)(H)2	C(CCCF)(CCFF)(F)2	C(CCFF)(CCHH)(F)2	C(CC[6a]CC)(CCFF)(H)2	C(CCCF)(CCFF)(F)2	112.5727	1.134	4	112.5727	1.286	4	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CC[6a]CH)(CCFF)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CC[6a]CH)(CCFF)(H)2	C(CCFF)2(F)2	113.5940	0.000	1	113.5940	0.000	1	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(F)2	C(CN[5]HH)(CCFF)(H)2	C(CCFF)2(F)2	C(CCFF)(CCHH)(F)2	C(CN[5]HH)(CCFF)(H)2	C(CCFF)2(F)2	113.5160	0.000	1	113.5160	0.000	1	113.9677	3.170	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	118.7161	0.738	15	118.7161	0.544	15	118.3740	1.422	17	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CHHN)(H)2	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CHHN)(H)2	115.8080	0.458	2	115.8080	0.210	2	118.3740	1.422	17	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:P-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFP)(F)2	C(CCFF)(PCOO)(F)2	C(CCFF)2(F)2	C(CCFF)(CFFP)(F)2	C(CCFF)(PCOO)(F)2	C(CCFF)2(F)2	116.0110	0.941	4	116.0110	0.885	4	115.8742	0.757	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:P-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFP)(F)2	C(CCFF)(PO3)(F)2	C(CCFF)2(F)2	C(CCFF)(CFFP)(F)2	C(CCFF)(PO3)(F)2	C(CCFF)2(F)2	115.3270	0.000	1	115.3270	0.000	1	115.8742	0.757	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(CCFF)(SCOO)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(SCOO)(F)2	C(CCFF)(CF3)(F)2	114.8113	0.434	3	114.8113	0.188	3	115.0295	0.316	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:S-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(CCFF)(SNOO)(F)2	C(CCFF)(CF3)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(SNOO)(F)2	C(CCFF)(CF3)(F)2	115.6840	0.000	1	115.6840	0.000	1	115.0295	0.316	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5]FF)(CCFF)(F)2	C(C[5]C[5]2C)(CCFF)(F)2	C(CCFF)2(F)2	C(CC[5]FF)(CCFF)(F)2	C(C[5]C[5]2C)(CCFF)(F)2	C(CCFF)2(F)2	113.9555	0.938	2	113.9555	0.880	2	117.0565	13.211	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CC[5]FF)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)2	C(CC[5]FH)(CCFF)(F)2	C(CC[5]FF)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)2	C(CC[5]FH)(CCFF)(F)2	120.1575	0.537	2	120.1575	0.288	2	117.0565	13.211	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:F-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[5]FH)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]FF)(CCFF)(F)2	C(CC[5]FH)(CCFF)(F)2	C(C[5]C[5]2Fe)(CCFF)(F)(H)	C(CC[5]FF)(CCFF)(F)2	117.6460	2.424	2	117.6460	5.876	2	117.6460	5.876	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[5]HH)(CCFF)(F)2	C(C[5]C[5]2H)(CCFF)(H)2	C(CCFF)2(F)2	C(CC[5]HH)(CCFF)(F)2	C(C[5]C[5]2H)(CCFF)(H)2	C(CCFF)2(F)2	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	S-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(SClOO)(CCFF)(F)2	C(CCFF)(CFFS)(F)2	C(CCFF)(CFFS)(F)2	C(SClOO)(CCFF)(F)2	C(CCFF)(CFFS)(F)2	114.1340	0.000	1	114.1340	0.000	1	113.2915	1.420	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	S-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CFFS)(F)2	C(SClOO)(CCFF)(F)2	C(CCFF)2(F)2	C(CCFF)(CFFS)(F)2	C(SClOO)(CCFF)(F)2	C(CCFF)2(F)2	112.4490	0.000	1	112.4490	0.000	1	113.2915	1.420	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C(CCFH)2(F)(H)	C(CCFH)(CHHO)(F)(H)	C(CCFH)2(F)(H)	C(CCFH)2(F)(H)	C(CCFH)(CHHO)(F)(H)	C(CCFH)2(F)(H)	113.8470	0.000	1	113.8470	0.000	1	113.8470	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	C(CCFH)(CCHH)(H)2	114.2505	1.027	2	114.2505	1.056	2	114.2505	1.056	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(F)(H)	C(CC[6a]CH)(CCFH)(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)2(F)(H)	C(CC[6a]CH)(CCFH)(H)2	C(CCFH)(CCHH)(H)2	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(F)(H)	C(CCFH)(NCHH)(H)2	C(CCFH)(NCHH)(H)2	C(CHHN)2(F)(H)	C(CCFH)(NCHH)(H)2	C(CCFH)(NCHH)(H)2	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C[6]-4:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C(CC[6]FH)(CCFH)(F)(H)	C(C[6]C[6]2H)(CCFH)(F)(H)	C(CCFH)(CCHH)(F)(H)	C(CC[6]FH)(CCFH)(F)(H)	C(C[6]C[6]2H)(CCFH)(F)(H)	C(CCFH)(CCHH)(F)(H)	114.8990	0.371	2	114.8990	0.137	2	114.8990	0.137	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pd)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pd)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	116.2800	0.247	2	116.2800	0.061	2	116.9988	2.093	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pt)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	C(AsC[6a]2Pt)(CCHH)(H)2	C(CAsHH)(CCHH)(H)2	117.7175	2.037	2	117.7175	4.150	2	116.9988	2.093	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	As[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CAs[5]HH)(CCHH)(H)2	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CAs[5]HH)(CCHH)(H)2	C(As[5]C[5,6a]2Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBHH)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CBHH)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	116.7410	0.000	1	116.7410	0.000	1	114.4583	4.612	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBHH)(CCHH)(H)2	C(BN[5]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	C(BN[5]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3170	1.187	2	113.3170	1.408	2	114.4583	4.612	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2N[5])(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CC[5]HH)(CBHH)(H)2	C(BC[6a]2N[5])(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	111.3710	0.000	1	111.3710	0.000	1	111.3710	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CB[6,6]HH)(CCHH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CB[6,6]HH)(CCHH)(H)2	C(B[6,6]C[6,6]2N)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	115.4590	0.000	1	115.4590	0.000	1	115.4590	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5,6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.6834	0.615	14	114.6834	0.379	14	114.4340	0.742	22	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CB[6]HH)(CCHH)(H)2	C(B[6]N[5a,6]N[5,6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9975	1.087	8	113.9975	1.181	8	114.4340	0.742	22	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)(CH3)(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)(CH3)(H)2	114.2593	0.911	12	114.2593	0.830	12	114.6810	1.010	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:B-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)2(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(BO3)(H)2	C(CCHH)2(H)2	114.9972	0.980	16	114.9972	0.960	16	114.6810	1.010	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	113.7461	2.100	30	113.7461	4.409	30	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Br)(H)	C(CCHH)2(H)2	113.8500	0.000	1	113.8500	0.000	1	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(CCHH)(H)2	112.4900	0.000	1	112.4900	0.000	1	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	C(CCHH)2(H)2	114.8335	1.947	2	114.8335	3.790	2	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(Br)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(Br)(H)	C(CC[6a]HH)(CCHH)(H)2	117.1730	0.000	1	117.1730	0.000	1	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(CCHH)(H)2	111.9110	0.000	1	111.9110	0.000	1	113.8187	4.301	36	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:N-4:H-1:H-1:	C(CBrCH)(CHHN)(H)2	C(CBrHH)(CCHH)(Br)(H)	C(CCHH)(NH3)(H)2	C(CBrCH)(CHHN)(H)2	C(CBrHH)(CCHH)(Br)(H)	C(CCHH)(NH3)(H)2	119.1115	4.977	2	119.1115	24.774	2	119.1115	24.774	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Cl)(H)	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	C(CBrCH)(CCHH)(Cl)(H)	C(CCHH)(CH3)(H)2	116.0080	0.000	1	116.0080	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)(CH3)(H)2	114.7425	0.298	2	114.7425	0.089	2	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CCHH)2(H)2	117.6640	0.286	2	117.6640	0.082	2	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(Cl)(H)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHO)(Cl)(H)	C(CCHH)2(H)2	114.2255	0.351	2	114.2255	0.124	2	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	C(CCHH)2(H)2	113.5760	0.000	1	113.5760	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	C(CN[5a]HH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(Cl)(H)	C(CN[5a]HH)(CCHH)(H)2	114.4610	0.000	1	114.4610	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CCHH)(CHHO)(H)2	C(CClCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(Cl)(H)	C(CCHH)(CHHO)(H)2	114.8930	0.000	1	114.8930	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)(CH3)(H)2	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)(CH3)(H)2	115.4550	0.000	1	115.4550	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CCHH)2(H)2	113.5920	0.277	2	113.5920	0.077	2	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	112.8130	0.000	1	112.8130	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CClCH)(CCHH)(H)2	113.7230	0.000	1	113.7230	0.000	1	114.7585	2.068	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:N-4:H-1:H-1:	C(CClCH)(CHHN)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CCHH)(NH3)(H)2	C(CClCH)(CHHN)(H)2	C(CClHH)(CCHH)(Cl)(H)	C(CCHH)(NH3)(H)2	116.6150	1.772	2	116.6150	3.140	2	116.6150	3.140	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(CHHN)(H)2	113.3850	0.000	1	113.3850	0.000	1	113.9509	0.994	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(CHHO)(H)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CCHH)(CHHO)(H)2	112.2887	0.353	4	112.2887	0.124	4	113.9509	0.994	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CCFF)(CCHH)(H)2	C(CCHH)(CF3)(F)2	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(CF3)(F)2	C(CCHH)2(H)2	112.7170	0.000	1	112.7170	0.000	1	113.9509	0.994	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	C(CCHH)2(H)2	114.3349	0.701	22	114.3349	0.491	22	113.9509	0.994	28	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(F)(H)	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(H)2	C(CCFH)(CCHH)(F)(H)	C(CCFH)(CCHH)(H)2	114.3980	1.162	2	114.3980	1.351	2	113.5443	0.954	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCHH)2(H)2	114.0820	0.255	2	114.0820	0.065	2	113.5443	0.954	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CH3)(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CH3)(H)2	113.3490	0.606	4	113.3490	0.367	4	113.5443	0.954	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCHH)2(H)2	111.5760	0.000	1	111.5760	0.000	1	113.5443	0.954	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(H)2	C(CCHH)2(F)(H)	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)2(F)(H)	C(CCHH)2(H)2	113.5110	0.000	1	113.5110	0.000	1	113.5443	0.954	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(Br)(H)	116.7935	2.355	2	116.7935	5.548	2	116.7935	5.548	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	C(CClCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(Cl)(H)	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(F)2	112.8070	1.615	2	112.8070	2.608	2	112.6048	5.051	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(F)2	111.7153	2.095	6	111.7153	4.387	6	112.6048	5.051	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(F)2	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(F)2	113.4580	4.094	2	113.4580	16.762	2	112.6048	5.051	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CF3)(F)2	C(CCFF)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CF3)(F)2	114.2180	1.665	2	114.2180	2.771	2	112.6048	5.051	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CAsHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CAsHH)(CCHH)(H)2	C(CCHH)2(H)2	113.7510	0.000	1	113.7510	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	117.7317	1.004	6	117.7317	1.008	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)2(H)2	112.9404	1.264	16	112.9404	1.599	16	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CB[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CB[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	118.3065	2.131	2	118.3065	4.539	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	118.6070	0.000	1	118.6070	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	111.6410	0.000	1	111.6410	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(H)2	116.1715	0.036	2	116.1715	0.001	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	112.8200	0.000	1	112.8200	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.7477	1.232	3	112.7477	1.517	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	113.5585	2.353	21	113.5585	5.539	21	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCF)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCCF)(CCHH)(H)2	C(CCHH)2(H)2	118.3880	0.000	1	118.3880	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	115.3520	0.000	1	115.3520	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	113.1067	1.512	3	113.1067	2.286	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	111.0470	0.000	1	111.0470	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	115.7415	0.115	2	115.7415	0.013	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	116.4752	1.821	6	116.4752	3.314	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.4656	6.295	33	115.4656	39.628	33	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.2410	0.000	1	113.2410	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.6000	1.714	2	112.6000	2.938	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHS)(H)2	112.1530	0.000	1	112.1530	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	115.5373	2.008	48	115.5373	4.031	48	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)2(H)2	114.4340	1.106	2	114.4340	1.223	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	110.7670	0.000	1	110.7670	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	112.9350	0.443	2	112.9350	0.196	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.4425	0.288	2	110.4425	0.083	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	113.1430	1.416	9	113.1430	2.006	9	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCCP)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCCP)(CCHH)(H)2	C(CCHH)2(H)2	116.6495	1.225	2	116.6495	1.502	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCFF)(CCHH)(H)2	111.0500	0.000	1	111.0500	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)2(H)2	112.4671	0.652	20	112.4671	0.426	20	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCFH)(CCHH)(H)2	C(CCHH)2(H)2	112.9370	1.952	4	112.9370	3.809	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	112.9342	2.895	6	112.9342	8.380	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CF3)(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CF3)(H)2	110.8990	0.403	2	110.8990	0.162	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	112.7571	0.759	17	112.7571	0.576	17	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	113.7919	1.306	13	113.7919	1.704	13	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	113.6240	1.037	2	113.6240	1.075	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	117.0350	0.000	1	117.0350	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHS)(H)2	115.3053	0.554	3	115.3053	0.307	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	112.6056	2.833	14	112.6056	8.026	14	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	113.4027	2.220	33	113.4027	4.929	33	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	115.9906	3.241	147	115.9906	10.502	147	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.4164	1.897	18	113.4164	3.600	18	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHS)(H)2	117.1100	0.000	1	117.1100	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(H)2	113.3606	1.419	10	113.3606	2.014	10	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	114.4756	2.132	80	114.4756	4.547	80	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)(CH3)(H)2	114.8790	0.000	1	114.8790	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(CCHH)2(H)2	113.3828	0.259	4	113.3828	0.067	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CH3)(H)2	112.6300	0.000	1	112.6300	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CHHN)(H)2	115.6720	0.000	1	115.6720	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(H)2	116.8433	1.114	11	116.8433	1.241	11	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCII)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCII)(H)2	C(CCHH)2(H)2	115.0470	0.000	1	115.0470	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCNS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CCNS)(H)2	C(CCHH)(CH3)(H)2	112.0430	0.000	1	112.0430	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CCOO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CCOO)(H)2	C(CCHH)2(H)2	114.0396	1.426	18	114.0396	2.032	18	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)(H)2	116.4014	9.546	175	116.4014	91.120	175	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	114.7172	5.047	3094	114.7172	25.475	3094	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(CHHN)(H)2	111.6090	0.000	1	111.6090	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)2(H)2	110.2075	1.032	2	110.2075	1.064	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC3)(H)2	115.5300	0.000	1	115.5300	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	113.3137	2.285	71	113.3137	5.222	71	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	113.6164	2.537	57	113.6164	6.438	57	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	112.9919	1.010	9	112.9919	1.019	9	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHP)(H)2	110.6670	0.000	1	110.6670	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	112.5550	3.032	2	112.5550	9.193	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	113.8635	2.148	805	113.8635	4.615	805	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH3)(H)2	114.7605	4.940	57	114.7605	24.405	57	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHO)(H)2	114.1995	1.380	15	114.1995	1.903	15	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	113.3733	2.020	698	113.3733	4.080	698	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	114.8580	0.000	1	114.8580	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	113.7262	1.504	14	113.7262	2.261	14	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)2(H)2	113.6101	1.580	131	113.6101	2.497	131	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CH3)(H)2	114.3780	0.946	9	114.3780	0.895	9	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	112.6311	1.711	18	112.6311	2.927	18	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)2(H)2	113.1759	1.802	93	113.1759	3.248	93	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHHW)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHW)(H)2	C(CCHH)(CH3)(H)2	114.9610	0.000	2	114.9610	0.000	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CHOO)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CHOO)(H)2	C(CCHH)2(H)2	111.1230	0.000	1	111.1230	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNOY)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(CNOY)(H)2	C(CCHH)2(H)2	114.5520	0.160	2	114.5520	0.026	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(CNPP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CNPP)(H)2	C(CCHH)(CH3)(H)2	111.0830	0.414	2	111.0830	0.172	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COOU)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(COOU)(H)2	C(CCHH)2(H)2	113.3578	1.670	10	113.3578	2.788	10	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	C(CCHH)2(H)2	112.0490	0.079	2	112.0490	0.006	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	114.4444	2.626	7634	114.4444	6.897	7634	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.6090	0.000	1	114.6090	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	116.6250	0.379	2	116.6250	0.144	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0265	0.880	2	113.0265	0.775	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.7602	1.166	8	114.7602	1.360	8	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	115.8240	0.000	1	115.8240	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CC[3]HN)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(CC[3]HN)(CCHH)(H)2	116.8150	0.000	1	116.8150	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HN)(CCHH)(H)2	C(CC[3]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HN)(CCHH)(H)2	C(CC[3]HO)(CCHH)(H)2	116.8225	0.665	2	116.8225	0.443	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(CCHH)2(H)2	114.0300	4.207	2	114.0300	17.701	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3a]CC)(CCHH)(H)2	C(CC[3a]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3a]CC)(CCHH)(H)2	C(CC[3a]CC)(CCHH)(H)2	112.1731	1.021	8	112.1731	1.043	8	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	109.9310	0.000	1	109.9310	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.6255	1.866	2	113.6255	3.482	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8510	0.000	1	113.8510	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4,5]HH)(CCHH)(H)2	C(CC[4]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4,5]HH)(CCHH)(H)2	C(CC[4]CH)(CCHH)(H)2	117.0490	0.000	1	117.0490	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.1120	0.000	1	115.1120	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	115.9520	0.000	1	115.9520	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.2537	1.028	22	114.2537	1.057	22	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	115.7651	0.728	16	115.7651	0.530	16	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HO)(CCHH)(H)2	116.4563	0.710	3	116.4563	0.504	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HS)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HS)(CCHH)(H)2	116.6410	0.000	1	116.6410	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	115.2000	0.000	1	115.2000	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5,5,6]CO)(CCHH)(H)2	C(CC[5,6]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,5,6]CO)(CCHH)(H)2	C(CC[5,6]CC)(CCHH)(H)2	113.8358	0.426	5	113.8358	0.182	5	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.6030	0.107	2	114.6030	0.012	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.8185	0.245	2	113.8185	0.060	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.4080	0.000	1	114.4080	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	114.3350	0.588	2	114.3350	0.346	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0300	0.000	1	112.0300	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]BrH)(CCHH)(H)2	C(CCHH)2(H)2	111.6420	0.000	1	111.6420	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CCHH)2(H)2	112.6105	0.672	4	112.6105	0.451	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	116.3530	0.000	1	116.3530	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.2725	1.296	103	113.2725	1.681	103	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	111.5472	0.465	4	111.5472	0.217	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	115.5950	0.000	1	115.5950	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0240	0.000	1	112.0240	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	114.0317	1.523	7	114.0317	2.319	7	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.7480	0.000	1	114.7480	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1570	0.000	1	113.1570	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.3390	0.000	1	112.3390	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	113.6630	0.000	1	113.6630	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8308	1.325	13	113.8308	1.755	13	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.8420	0.645	2	116.8420	0.416	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.1467	1.092	3	113.1467	1.192	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.5304	2.595	185	114.5304	6.734	185	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.5998	2.237	13	114.5998	5.004	13	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	116.3200	0.000	1	116.3200	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.4630	0.701	2	117.4630	0.492	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	116.6773	1.144	3	116.6773	1.310	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	113.3872	1.956	6	113.3872	3.827	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7855	0.424	2	112.7855	0.179	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(H)2	114.5912	1.666	6	114.5912	2.775	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]HS)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5]HS)(CCHH)(H)2	C(CCHH)2(H)2	113.2610	0.000	1	113.2610	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5]RuH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]RuH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	114.7440	0.000	1	114.7440	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CCHH)2(H)2	115.2589	2.316	36	115.2589	5.362	36	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]2C)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	111.4740	0.276	2	111.4740	0.076	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CH3)(H)2	107.8230	4.787	2	107.8230	22.916	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2890	0.000	1	112.2890	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2558	0.553	5	114.2558	0.305	5	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	115.6877	0.900	6	115.6877	0.809	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.1173	4.827	20	115.1173	23.301	20	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	117.1150	0.324	2	117.1150	0.105	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.1654	1.871	143	114.1654	3.501	143	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	115.8877	0.754	16	115.8877	0.569	16	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	115.8130	0.313	2	115.8130	0.098	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[5a]HN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5150	0.000	1	113.5150	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5a]NN)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5a]NN)(CCHH)(H)2	C(CCHH)2(H)2	123.9010	0.000	1	123.9010	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.0740	0.000	1	113.0740	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.8370	0.000	1	113.8370	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.4787	1.446	4	111.4787	2.091	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5430	0.000	1	113.5430	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0130	0.000	1	111.0130	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	118.1610	0.000	1	118.1610	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]AsH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]AsH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	115.3120	0.000	1	115.3120	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	115.1580	0.000	1	115.1580	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	115.8647	0.995	6	115.8647	0.989	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]ClC)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]ClC)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	118.9440	0.000	1	118.9440	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	115.7650	0.276	2	115.7650	0.076	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9626	1.614	25	113.9626	2.606	25	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	117.8730	4.797	2	117.8730	23.011	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	115.2670	2.067	145	115.2670	4.273	145	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.2184	2.840	12	117.2184	8.068	12	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	115.2390	0.000	1	115.2390	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	114.7465	2.487	42	114.7465	6.185	42	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	112.8450	0.000	1	112.8450	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HP)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	114.9327	1.794	6	114.9327	3.218	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]MnO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6]MnO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3440	0.387	2	112.3440	0.150	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6]PdC)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]PdC)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	114.7760	0.000	1	114.7760	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7480	1.474	4	113.7480	2.173	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0130	1.008	2	112.0130	1.017	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	113.7183	1.110	33	113.7183	1.232	33	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4760	0.000	1	112.4760	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	111.4710	0.000	1	111.4710	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.2485	0.520	2	112.2485	0.270	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7726	1.240	9	113.7726	1.537	9	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.5530	0.000	1	114.5530	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	114.6486	2.063	7	114.6486	4.255	7	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9420	0.000	1	112.9420	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]CO)(CCHH)(H)2	C(CClHH)(CCHH)(H)2	112.4800	2.714	2	112.4800	7.365	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C[5]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]C[5]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6200	0.000	1	112.6200	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2200	0.621	2	113.2200	0.385	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	113.0200	1.133	3	113.0200	1.285	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	116.0150	0.000	1	116.0150	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	114.4890	0.000	1	114.4890	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.0109	1.434	35	114.0109	2.057	35	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.1930	0.000	1	116.1930	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.5357	2.074	250	114.5357	4.302	250	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	115.5927	1.332	20	115.5927	1.775	20	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CC3)(H)2	113.2090	0.000	1	113.2090	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.6500	0.000	1	112.6500	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)2(H)2	113.8415	0.183	2	113.8415	0.034	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CC[6a]HS)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(H)2	C(CC[6a]HS)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.2700	0.000	1	113.2700	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClCC)(CCHH)(H)2	C(CClCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CClCC)(CCHH)(H)2	C(CClCC)(CCHH)(H)2	111.2090	0.000	1	111.2090	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.4750	1.407	2	116.4750	1.980	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(H)2	114.7202	1.564	5	114.7202	2.446	5	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CClCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	112.1480	0.000	1	112.1480	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.2700	0.000	1	113.2700	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CClHH)(CCHH)(H)2	C(CCHH)2(H)2	113.7790	0.791	2	113.7790	0.625	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCo2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCo2C)(CCHH)(H)2	C(CCHH)2(H)2	113.5840	0.375	4	113.5840	0.141	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCoCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCoCC)(CCHH)(H)2	C(CCHH)2(H)2	112.5660	0.000	1	112.5660	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCoCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCoCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3280	0.000	1	113.3280	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)2(H)2	115.5450	0.956	2	115.5450	0.914	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8220	0.000	1	113.8220	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCoOO)(CCHH)(H)2	C(CCHH)2(H)2	114.4840	0.390	2	114.4840	0.152	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCuCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CCuCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7210	0.000	1	113.7210	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCuOO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CCuOO)(CCHH)(H)2	C(CCHH)2(H)2	112.8570	0.000	1	112.8570	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CFeCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CFeCH)(CCHH)(H)2	C(CCHH)2(H)2	116.9250	0.129	2	116.9250	0.017	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CGeCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CGeCH)(CCHH)(H)2	C(CCHH)2(H)2	122.4420	0.000	1	122.4420	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.4997	2.565	3	111.4997	6.579	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CHfNN)(CCHH)(H)2	C(CCHH)2(H)2	115.0205	0.121	2	115.0205	0.015	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)2(H)2	115.7204	1.089	47	115.7204	1.185	47	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CIrCH)(CCHH)(H)2	C(CIrCH)(CCHH)(H)2	113.8445	0.187	2	113.8445	0.035	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	109.7060	0.000	1	109.7060	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CIrHH)(CCHH)(H)2	C(CCHH)2(H)2	113.0370	0.000	1	113.0370	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMgHH)(CCHH)(H)2	C(CMgHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CMgHH)(CCHH)(H)2	C(CMgHH)(CCHH)(H)2	114.3230	0.000	1	114.3230	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMgNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CMgNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9273	2.393	6	113.9273	5.725	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5765	0.598	2	113.5765	0.357	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CMnOO)(CCHH)(H)2	C(CCHH)2(H)2	114.0660	0.000	1	114.0660	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)2(H)2	115.3210	0.766	3	115.3210	0.586	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CMoCH)(CCHH)(H)2	C(CMoCH)(CCHH)(H)2	112.8710	0.000	1	112.8710	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	110.7230	0.000	1	110.7230	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.8051	1.233	11	113.8051	1.519	11	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[4]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.4040	0.000	2	113.4040	0.000	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]CH)(CCHH)(H)2	C(CCHH)2(H)2	114.7027	2.274	66	114.7027	5.169	66	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.4780	1.853	23	114.4780	3.435	23	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CHOO)(H)2	112.4390	0.000	1	112.4390	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.1217	3.649	272	114.1217	13.316	272	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	113.4733	0.423	4	113.4733	0.179	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CNiCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CNiCH)(CCHH)(H)2	122.1630	0.000	1	122.1630	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	113.1100	0.000	1	113.1100	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5a]CH)(CCHH)(H)2	C(CCHH)2(H)2	114.8245	1.452	2	114.8245	2.107	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7766	0.859	9	113.7766	0.737	9	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.2945	1.308	117	113.2945	1.711	117	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	114.1920	0.000	1	114.1920	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	113.4335	0.326	4	113.4335	0.106	4	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6,6]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.0690	0.000	1	113.0690	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6]CH)(CCHH)(H)2	C(CCHH)2(H)2	118.5094	6.259	8	118.5094	39.175	8	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	114.0750	0.000	1	114.0750	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4120	1.793	15	113.4120	3.214	15	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	114.1190	2.253	104	114.1190	5.078	104	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	113.6868	1.185	8	113.6868	1.405	8	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HO)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(CN[6]HO)(CCHH)(H)2	114.4630	0.000	1	114.4630	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6a]CH)(CCHH)(H)2	C(CCHH)2(H)2	116.1448	2.614	14	116.1448	6.834	14	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	113.9170	0.283	2	113.9170	0.080	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3535	0.288	2	113.3535	0.083	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)2(H)2	113.7110	1.200	46	113.7110	1.439	46	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CNiCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CNiCH)(CCHH)(H)2	C(CCHH)2(H)2	116.8076	0.862	10	116.8076	0.742	10	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CNiHH)(CCHH)(H)2	C(CCHH)2(H)2	112.9590	0.000	1	112.9590	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2840	0.000	1	114.2840	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CPdCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CPdCH)(CCHH)(H)2	C(CCHH)2(H)2	115.7050	1.497	3	115.7050	2.241	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CPdCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CPdCO)(CCHH)(H)2	C(CCHH)2(H)2	116.7980	0.000	1	116.7980	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CPtCH)(CCHH)(H)2	C(CCHH)2(H)2	115.7346	0.643	8	115.7346	0.413	8	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRhCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CRhCH)(CCHH)(H)2	C(CCHH)2(H)2	115.9498	0.889	22	115.9498	0.790	22	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRhHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CRhHH)(CCHH)(H)2	C(CCHH)2(H)2	114.3350	0.000	1	114.3350	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRu2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CRu2C)(CCHH)(H)2	C(CCHH)2(H)2	112.2910	0.000	1	112.2910	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRuCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CRuCC)(CCHH)(H)2	C(CCHH)2(H)2	113.3030	0.000	1	113.3030	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	116.2050	1.215	2	116.2050	1.476	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CRuCH)(CCHH)(H)2	C(CRuCH)(CCHH)(H)2	113.8047	0.526	3	113.8047	0.276	3	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CScNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CScNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1092	0.612	6	113.1092	0.375	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	110.8615	1.808	2	110.8615	3.269	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CSeHH)(CCHH)(H)2	C(CSeHH)(CCHH)(H)2	112.1750	0.806	2	112.1750	0.650	2	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)2(H)2	114.4684	1.954	29	114.4684	3.817	29	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSmNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CSmNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3480	0.000	1	113.3480	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	C(CCHH)2(H)2	114.9748	1.771	6	114.9748	3.138	6	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	C(CSnHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CSnHH)(CCHH)(H)2	C(CSnHH)(CCHH)(H)2	112.7420	0.000	1	112.7420	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CSnNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CSnNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8805	1.990	14	113.8805	3.961	14	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CTiNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CTiNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.0290	0.000	1	114.0290	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CZrNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(H)2	C(CZrNN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3620	0.000	1	112.3620	0.000	1	114.4125	11.263	15750	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C(CCHH)(CCHI)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(H)(I)	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CB[5]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CB[5]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	110.3370	0.000	1	110.3370	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCCF)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCCF)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.2040	0.000	1	111.2040	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(NH3)(H)2	117.6132	6.976	5	117.6132	48.666	5	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCFF)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	112.8560	1.624	2	112.8560	2.636	2	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(H)2	110.1110	0.639	2	110.1110	0.409	2	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(H)2	110.7029	1.566	11	110.7029	2.454	11	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(NCCH)(H)2	119.4595	2.065	2	119.4595	4.266	2	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC3)(H)2	110.6117	2.482	4099	110.6117	6.158	4099	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(ND3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(ND3)(H)2	115.6710	0.000	1	115.6710	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NH3)(H)2	112.8087	2.780	44	112.8087	7.728	44	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHI)(H)2	C(CCHH)(NH3)(H)2	110.7260	3.828	3	110.7260	14.655	3	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	110.4963	2.935	4	110.4963	8.614	4	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	112.1107	1.852	3	112.1107	3.428	3	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	113.0044	2.425	97	113.0044	5.881	97	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(NC3)(H)2	110.7430	0.821	3	110.7430	0.674	3	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(NH3)(H)2	115.2770	0.000	1	115.2770	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(COPP)(H)2	C(CCHH)(NH3)(H)2	110.5305	2.173	11	110.5305	4.723	11	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]2O)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	108.6510	0.000	1	108.6510	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.6478	2.116	6	111.6478	4.477	6	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CHHN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(NC3)(H)2	109.5650	0.000	1	109.5650	0.000	1	110.7054	6.447	4298	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(PC3)(H)2	112.3123	1.632	98	112.3123	2.664	98	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(PCCH)(H)2	113.5970	0.000	1	113.5970	0.000	1	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	116.6148	0.868	5	116.6148	0.754	5	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCH)(H)2	116.4687	0.076	3	116.4687	0.006	3	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	116.6015	0.127	2	116.6015	0.016	2	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	112.2056	0.714	5	112.2056	0.509	5	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CO[5]HH)(CCHH)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	C(CO[5]HH)(CCHH)(H)2	C(CCHH)(PC3)(H)2	112.2960	0.000	1	112.2960	0.000	1	112.6888	3.773	115	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(SO3)(H)2	109.0300	0.000	1	109.0300	0.000	1	113.2263	7.684	7	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	115.3230	1.124	2	115.3230	1.264	2	113.2263	7.684	7	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	111.3285	1.223	2	111.3285	1.495	2	113.2263	7.684	7	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CCHH)(CHHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(SO3)(H)2	115.1255	1.590	2	115.1255	2.529	2	113.2263	7.684	7	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	112.6040	0.647	4	112.6040	0.418	4	112.6040	0.418	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(NTcCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(NTcCC)(CCHH)(H)2	111.0700	0.000	1	111.0700	0.000	1	116.0965	11.321	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CN[6]CH)(CCHH)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CN[6]CH)(CCHH)(H)2	C(NPdCC)(CCHH)(H)2	117.7720	0.372	3	117.7720	0.138	3	116.0965	11.321	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:I-1:I-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCII)(H)2	C(CCHH)(CHHN)(I)2	C(CCHH)2(H)2	C(CCHH)(CCII)(H)2	C(CCHH)(CHHN)(I)2	C(CCHH)2(H)2	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(F)2	C(CCFF)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(F)2	113.2450	3.619	2	113.2450	13.097	2	113.2450	13.097	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)2(H)2	111.2164	5.846	86	111.2164	34.177	86	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(CH3)(H)2	111.0002	0.536	8	111.0002	0.287	8	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)2(H)2	113.5647	2.096	31	113.5647	4.393	31	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCS)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCCS)(H)2	C(CCHH)(CH3)(H)2	109.6700	0.000	1	109.6700	0.000	1	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CC3)(H)2	116.5260	0.000	1	116.5260	0.000	1	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CH3)(H)2	112.3998	2.248	53	112.3998	5.055	53	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(H)2	115.9650	5.585	27	115.9650	31.194	27	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)2(H)2	112.5414	2.382	295	112.5414	5.674	295	112.5245	12.624	502	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	108.4850	0.000	1	108.4850	0.000	1	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(NH3)(H)2	108.1680	0.000	1	108.1680	0.000	1	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	111.1537	3.150	11	111.1537	9.922	11	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NCHH)(H)2	112.0091	2.459	7	112.0091	6.045	7	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(NH3)(H)2	110.1934	1.973	13	110.1934	3.893	13	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	113.4676	3.239	45	113.4676	10.491	45	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NH3)(H)2	111.8002	2.038	9	111.8002	4.155	9	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NH3)(H)2	C(CHHN)2(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(NH3)(H)2	112.0857	2.767	74	112.0857	7.658	74	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(CCHH)(NHHO)(H)2	C(CCHH)(NHHO)(H)2	C(CHHN)2(H)2	C(CCHH)(NHHO)(H)2	C(CCHH)(NHHO)(H)2	112.8955	0.878	2	112.8955	0.770	2	112.1982	8.687	163	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(SO3)(H)2	107.5995	0.405	4	107.5995	0.164	4	107.5995	0.164	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(SiC3)(H)2	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)(CH3)(H)2	112.1175	0.701	2	112.1175	0.491	2	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PBCC)(H)2	C(CCHH)2(H)2	111.5930	0.875	2	111.5930	0.766	2	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)2(H)2	113.9970	0.000	1	113.9970	0.000	1	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(CH3)(H)2	113.4307	0.862	3	113.4307	0.744	3	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)2(H)2	112.7440	1.465	3	112.7440	2.147	3	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCW)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PCCW)(H)2	C(CCHH)(CH3)(H)2	112.4847	0.413	3	112.4847	0.171	3	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(PO3)(H)2	C(CCHH)2(H)2	112.3409	1.066	38	112.3409	1.137	38	112.4298	1.120	52	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CHHP)2(H)2	C(CCHH)(PCCW)(H)2	C(CCHH)(PCCW)(H)2	C(CHHP)2(H)2	C(CCHH)(PCCW)(H)2	C(CCHH)(PCCW)(H)2	113.9160	0.000	1	113.9160	0.000	1	111.9517	3.225	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C(CHHP)2(H)2	C(CCHH)(PO3)(H)2	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	C(CCHH)(PO3)(H)2	C(CCHH)(PO3)(H)2	110.9695	0.814	2	110.9695	0.662	2	111.9517	3.225	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)2(H)2	111.7225	0.878	2	111.7225	0.770	2	113.0695	2.099	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SNOO)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SNOO)(H)2	C(CCHH)2(H)2	112.2970	0.000	1	112.2970	0.000	1	113.0695	2.099	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(SO3)(H)2	C(CCHH)2(H)2	113.3584	1.458	12	113.3584	2.126	12	113.0695	2.099	15	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)(SCOO)(H)2	C(CHHS)2(H)2	C(CCHH)(SCOO)(H)2	C(CCHH)(SCOO)(H)2	115.9470	0.000	1	115.9470	0.000	1	112.8370	19.344	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHS)2(H)2	C(CCHH)(SO3)(H)2	C(CCHH)(SO3)(H)2	C(CHHS)2(H)2	C(CCHH)(SO3)(H)2	C(CCHH)(SO3)(H)2	109.7270	0.000	1	109.7270	0.000	1	112.8370	19.344	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)(CH3)(H)2	114.7100	0.000	1	114.7100	0.000	1	114.4624	3.039	18	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CCHH)2(H)2	113.3940	0.623	5	113.3940	0.389	5	114.4624	3.039	18	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(CH3)(H)2	114.1933	0.314	4	114.1933	0.099	4	114.4624	3.039	18	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)2(H)2	115.2339	2.360	8	115.2339	5.571	8	114.4624	3.039	18	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5,6]HH)(CCHH)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3,5,6]HH)(CCHH)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(H)2	C(CCHH)2(H)2	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(CCHH)2(H)2	111.2040	0.000	1	111.2040	0.000	1	113.9890	6.273	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3,5]HH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5,6]C[3])(CCHH)(H)2	C(CCHH)2(H)2	115.3815	0.955	2	115.3815	0.913	2	113.9890	6.273	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.8655	0.595	2	115.8655	0.354	2	115.3250	1.441	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	115.9680	0.000	1	115.9680	0.000	1	115.3250	1.441	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(C[3,6]C[3,6]C[6]N[3])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6010	0.000	1	113.6010	0.000	1	115.3250	1.441	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C(CC[3]HH)(CBrCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CC[3]HH)(CBrCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)(CCHO)(Br)(H)	118.9015	0.293	2	118.9015	0.086	2	118.9015	0.086	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6230	0.000	1	113.6230	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	C(CCHH)2(H)2	114.2360	0.000	1	114.2360	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]2H)(CCHH)(H)2	C(CCHH)2(H)2	114.6170	0.102	2	114.6170	0.010	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	113.6870	0.000	1	113.6870	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	114.3036	1.153	39	114.3036	1.329	39	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	115.6068	1.057	4	115.6068	1.117	4	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	112.9805	0.226	2	112.9805	0.051	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1500	0.591	2	112.1500	0.349	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)2(H)2	116.2290	0.000	1	116.2290	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C[6])(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2C[6])(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	114.8620	0.816	2	114.8620	0.666	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7537	0.520	3	113.7537	0.270	3	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)2(H)2	114.1077	1.105	4	114.1077	1.220	4	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2N[6])(CCHH)(H)2	C(CCHH)2(H)2	117.6270	0.561	2	117.6270	0.315	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]2O)(CCHH)(H)2	C(CCHH)2(H)2	115.8335	0.436	2	115.8335	0.190	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	115.1663	1.120	3	115.1663	1.254	3	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	112.2925	3.696	2	112.2925	13.661	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]N[3]H)(CCHH)(H)2	C(CCHH)2(H)2	114.8000	0.000	1	114.8000	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.5424	2.112	5	113.5424	4.459	5	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8445	0.142	2	112.8445	0.020	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)2(H)2	113.2477	0.406	3	113.2477	0.165	3	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	116.9020	0.000	1	116.9020	0.000	1	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HH)(CCHH)(H)2	C(C[3]N[3]2H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[3]HH)(CCHH)(H)2	C(C[3]N[3]2H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.2135	0.397	2	113.2135	0.157	2	114.2733	2.108	85	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)2(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(CC[3]HH)2(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	113.2645	0.544	2	113.2645	0.296	2	113.2645	0.296	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	113.8720	0.000	1	113.8720	0.000	1	113.8720	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x5,6]HH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3x5,6]HH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6,6a]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0570	0.414	3	112.0570	0.171	3	113.3277	1.546	8	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)2(H)2	113.2250	0.000	1	113.2250	0.000	1	113.3277	1.546	8	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3x6]HH)(CCHH)(H)2	C(C[3x6]Ga[6,6]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.3065	0.773	4	114.3065	0.597	4	113.3277	1.546	8	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,3x6]C[4,6]C[4x6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	115.5830	0.000	1	115.5830	0.000	1	114.6930	0.614	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[4,3x6]HH)(CCHH)(H)2	C(C[4,3x6]C[4,6,6]C[3x6]C[4,6])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	114.2480	0.198	2	114.2480	0.039	2	114.6930	0.614	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4,5]HH)(CCHH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4,5]HH)(CCHH)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(H)2	C(CCHH)2(H)2	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	115.1650	0.000	1	115.1650	0.000	1	115.6420	0.455	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]HH)(CCHH)(H)2	C(C[4,6]C[4,6,6]2O)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	116.1190	0.000	1	116.1190	0.000	1	115.6420	0.455	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[4]HH)(CCFF)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CNiFF)(CCHH)(F)2	C(CC[4]HH)(CCFF)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CNiFF)(CCHH)(F)2	116.7015	0.165	2	116.7015	0.027	2	116.7015	0.027	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,4]C[4]H)(CCHH)(H)2	C(CCHH)2(H)2	113.4136	0.808	5	113.4136	0.654	5	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,5]C[4,6]C)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	110.8730	0.000	1	110.8730	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)2(H)2	114.4640	0.490	4	114.4640	0.240	4	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	115.0090	0.000	1	115.0090	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[4]O)(CCHH)(H)2	C(CCHH)2(H)2	117.2170	1.466	4	117.2170	2.150	4	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6]C[6a]C[4])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	119.7020	0.000	1	119.7020	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]H)(CCHH)(H)2	C(CC[3]HH)(CCHH)(H)2	117.7410	0.000	1	117.7410	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CCHH)2(H)2	115.1050	0.000	1	115.1050	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]N[6])(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	113.8375	0.052	2	113.8375	0.003	2	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4,6a]C[4]O)(CCHH)(H)2	C(CCHH)2(H)2	115.0080	0.180	2	115.0080	0.032	2	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.2510	0.000	1	114.2510	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	131.1650	0.000	1	131.1650	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(H)2	C(CCHH)2(H)2	114.8243	1.173	20	114.8243	1.376	20	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(H)2	C(CCHH)2(H)2	115.1758	2.204	8	115.1758	4.856	8	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2Si)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]2Si)(CCHH)(H)2	C(CCHH)2(H)2	112.5960	0.000	1	112.5960	0.000	1	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CCHH)2(H)2	114.6958	2.013	9	114.6958	4.053	9	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]N[4]H)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	115.2152	0.934	4	115.2152	0.871	4	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CCHH)2(H)2	110.6700	0.775	2	110.6700	0.601	2	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(H)2	C(CCHH)2(H)2	116.5583	0.464	4	116.5583	0.216	4	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(C[4]C[6a]C[4]N[4])(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	115.8205	0.435	4	115.8205	0.189	4	115.1289	6.770	76	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C(CC[4]HH)2(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	C(CC[4]HH)2(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	C(C[4]C[4]2Co)(CCHH)(H)2	115.9715	0.590	10	115.9715	0.348	10	115.9715	0.348	10	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6770	0.000	1	113.6770	0.000	1	112.4160	1.214	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,5,6]HH)(CCHH)(H)2	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.7855	0.207	2	111.7855	0.043	2	112.4160	1.214	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C(CC[3x5,6,6]HH)(CCHH)(H)2	112.7840	0.000	1	112.7840	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5940	0.000	1	113.5940	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	116.5930	0.000	1	116.5930	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	117.2170	0.000	1	117.2170	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5]HI)(CCHH)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5]HI)(CCHH)(H)2	116.7150	0.000	1	116.7150	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[5,5]HH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C(CCHH)(CCHO)(H)2	112.4300	0.000	1	112.4300	0.000	1	114.8888	4.762	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6,6]HH)(CCHH)(H)2	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,6,6]HH)(CCHH)(H)2	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	116.8320	0.000	1	116.8320	0.000	1	116.8320	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C(CCHH)2(H)2	116.5920	0.000	1	116.5920	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2180	0.000	1	112.2180	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1490	0.000	1	112.1490	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	110.1250	0.000	2	110.1250	0.000	2	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)2(H)2	113.3315	0.359	2	113.3315	0.129	2	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0410	0.000	1	111.0410	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C(CCHH)2(H)2	111.7320	0.000	1	111.7320	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.0545	0.043	2	113.0545	0.002	2	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5,6]HH)(CCHH)(H)2	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C(CCHH)2(H)2	117.1350	0.000	1	117.1350	0.000	1	112.8241	4.845	12	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CCHH)2(H)2	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CCHH)2(H)2	116.5670	0.000	1	116.5670	0.000	1	115.0784	3.841	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CCHH)(CH3)(H)2	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C(CCHH)(CH3)(H)2	114.9860	0.000	1	114.9860	0.000	1	115.0784	3.841	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]BrH)(CCHH)(H)2	114.8600	3.482	2	114.8600	12.123	2	115.0784	3.841	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]HO)(CCHH)(H)2	C(CC[5]BrH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C(CC[5]HO)(CCHH)(H)2	114.1190	0.000	1	114.1190	0.000	1	115.0784	3.841	5	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]ClH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C(CC[5,5]HH)(CCHH)(H)2	116.4630	0.000	1	116.4630	0.000	1	116.4630	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:F-1:F-1:	C-4:C-4:H-1:H-1:	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]FF)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(F)2	C(CC[6a]HH)(CCHH)(H)2	116.5605	0.078	2	116.5605	0.006	2	116.5605	0.006	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CC[5]HH)(CClCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CCHH)2(Cl)(H)	C(CC[5]HH)(CClCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CCHH)2(Cl)(H)	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CC[5]HH)(CCFF)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	C(CC[5]HH)(CCFF)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCFF)(CCHH)(F)2	111.5190	0.195	2	111.5190	0.038	2	111.5190	0.038	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	116.2320	0.000	1	116.2320	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2580	0.000	1	112.2580	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	118.8830	0.000	1	118.8830	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	117.4885	2.879	8	117.4885	8.289	8	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	111.3930	0.000	1	111.3930	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.8183	0.938	4	115.8183	0.879	4	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	116.2160	0.000	1	116.2160	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.3235	1.036	2	113.3235	1.073	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.4935	0.988	2	114.4935	0.976	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C(CCHH)2(H)2	112.5787	2.167	7	112.5787	4.698	7	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C(CCHH)2(H)2	113.0699	1.221	15	113.0699	1.492	15	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.5605	0.669	4	114.5605	0.447	4	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)2(H)2	116.0610	0.000	1	116.0610	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	116.2265	0.467	2	116.2265	0.218	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.0037	1.168	3	113.0037	1.363	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[3,6]HH)(CCHH)(H)2	115.9500	0.495	2	115.9500	0.245	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.0835	1.925	2	114.0835	3.707	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.5400	1.229	2	112.5400	1.510	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3179	2.085	36	113.3179	4.348	36	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)2(H)2	113.3422	1.229	43	113.3422	1.510	43	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9830	0.000	1	113.9830	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	116.1010	0.000	1	116.1010	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	113.8710	0.000	1	113.8710	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	116.6920	0.000	1	116.6920	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1043	0.908	3	113.1043	0.825	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C(CCHH)2(H)2	116.6410	1.095	4	116.6410	1.198	4	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C(CCHH)2(H)2	115.5380	0.000	1	115.5380	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C(CCHH)2(H)2	114.2110	1.327	2	114.2110	1.760	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CF3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CF3)(H)2	110.5630	0.559	2	110.5630	0.312	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5595	0.347	2	112.5595	0.121	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	114.2490	1.259	3	114.2490	1.586	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	114.9780	0.000	2	114.9780	0.000	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5040	0.000	1	113.5040	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)2(H)2	113.9036	1.000	12	113.9036	1.001	12	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	112.3820	0.898	2	112.3820	0.806	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	114.4740	0.358	2	114.4740	0.128	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	113.8688	1.058	4	113.8688	1.120	4	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	113.4630	0.358	2	113.4630	0.128	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5035	0.087	2	112.5035	0.008	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.9990	1.546	2	114.9990	2.389	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	115.7132	2.618	22	115.7132	6.852	22	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1680	0.000	1	114.1680	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CCHH)2(H)2	114.3250	0.000	1	114.3250	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	113.1570	0.000	1	113.1570	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5170	0.000	1	113.5170	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CCHH)2(H)2	115.4977	3.234	3	115.4977	10.456	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	113.4430	0.000	1	113.4430	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	112.4990	1.674	2	112.4990	2.804	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	115.5220	0.000	1	115.5220	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1010	0.000	1	114.1010	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	113.8940	0.000	1	113.8940	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)2(H)2	113.2607	1.125	6	113.2607	1.266	6	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Ti)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9970	0.000	1	113.9970	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2W)(CCHH)(H)2	C(CCHH)(CHHW)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2W)(CCHH)(H)2	C(CCHH)(CHHW)(H)2	114.1220	0.000	1	114.1220	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1490	1.126	2	113.1490	1.267	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4905	0.006	2	112.4905	0.000	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)2(H)2	115.2152	2.101	13	115.2152	4.413	13	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	117.7070	0.000	1	117.7070	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CBrHH)(CCHH)(H)2	114.7280	0.000	1	114.7280	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	115.2150	0.000	1	115.2150	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)2(H)2	114.6608	1.907	11	114.6608	3.637	11	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	117.2510	0.000	1	117.2510	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	114.7640	0.000	1	114.7640	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)2(H)2	113.3180	1.505	7	113.3180	2.264	7	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.9925	2.528	2	114.9925	6.390	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	114.2980	0.000	1	114.2980	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	115.2506	1.480	5	115.2506	2.191	5	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.2140	0.291	2	115.2140	0.085	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CCHH)2(H)2	113.0426	0.663	5	113.0426	0.440	5	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]P[5]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	117.4661	1.979	10	117.4661	3.918	10	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]S[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.4837	2.369	3	113.4837	5.611	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.6857	1.729	9	113.6857	2.991	9	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C(CCHH)2(H)2	112.2380	0.000	1	112.2380	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3940	0.000	1	112.3940	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C(CCHH)2(H)2	118.7220	0.000	1	118.7220	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C(CCHH)2(H)2	115.0075	1.897	8	115.0075	3.597	8	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8070	0.000	1	113.8070	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	114.8995	2.098	2	114.8995	4.402	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3015	0.312	2	112.3015	0.097	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.9280	0.000	1	112.9280	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	113.0810	0.321	2	113.0810	0.103	2	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0370	0.203	3	112.0370	0.041	3	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]O[5]H)(CCHH)(H)2	C(CCHH)2(H)2	113.3670	0.000	1	113.3670	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	C(CCHH)2(H)2	112.4630	0.000	1	112.4630	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	C(CCHH)2(H)2	112.3860	0.000	1	112.3860	0.000	1	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5]HH)(CCHH)(H)2	C(C[5]S[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.7608	0.659	4	111.7608	0.434	4	114.1532	4.332	337	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C(CC[5]HH)(CCHI)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)2(H)(I)	115.3855	2.930	2	115.3855	8.582	2	115.3855	8.582	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	115.1480	0.000	1	115.1480	0.000	1	114.3025	2.079	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	C(C[5]C[5]2Co)(CCHH)(H)2	114.7510	0.000	1	114.7510	0.000	1	114.3025	2.079	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	C(C[5]C[5]2Ir)(CCHH)(H)2	112.1580	0.000	1	112.1580	0.000	1	114.3025	2.079	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	C(CC[5]HH)2(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	C(C[5]C[5]2Ni)(CCHH)(H)2	115.1530	0.000	1	115.1530	0.000	1	114.3025	2.079	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[5]HH)(CC[6]HH)(H)2	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	114.5860	0.000	1	114.5860	0.000	1	114.5860	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(NRhCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(NRhCC)(CCHH)(H)2	114.9115	0.046	2	114.9115	0.002	2	115.1552	1.339	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(NRhHH)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Rh)(CCHH)(H)2	C(NRhHH)(CCHH)(H)2	116.7730	0.000	1	116.7730	0.000	1	115.1552	1.339	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	C(NZnCC)(CCHH)(H)2	C(CC[5]HH)(CHHN)(H)2	C(C[5]C[5]2Zn)(CCHH)(H)2	C(NZnCC)(CCHH)(H)2	114.0250	0.000	1	114.0250	0.000	1	115.1552	1.339	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	115.7460	0.098	2	115.7460	0.010	2	115.7460	0.010	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C(CC[5]HH)(CHHS)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	C(SC[6a]RuO)(CCHH)(H)2	C(CC[5]HH)(CHHS)(H)2	C(C[5]C[5]2Ru)(CCHH)(H)2	C(SC[6a]RuO)(CCHH)(H)2	113.1620	0.000	1	113.1620	0.000	1	113.1620	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5,5]HH)(CCHH)(H)2	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5,5]HH)(CCHH)(H)2	117.9120	0.000	1	117.9120	0.000	1	114.8755	18.441	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CCHH)(CCHN)(H)2	C(CC[5]HI)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CCHH)(CCHN)(H)2	111.8390	0.000	1	111.8390	0.000	1	114.8755	18.441	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:O-1:	C-4:C-4:Br-1:H-1:	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C(CCHH)(CCHO)(Br)(H)	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C(CCHH)(CCHO)(Br)(H)	115.6260	0.000	1	115.6260	0.000	1	115.6260	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	116.0760	0.000	1	116.0760	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	112.4910	0.000	1	112.4910	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7090	0.000	1	112.7090	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9813	0.564	3	111.9813	0.318	3	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2C)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	115.0000	0.000	1	115.0000	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]C[6,6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.2730	0.000	1	117.2730	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(C[6,6]O[6,6]C[6]O[6])(CCHH)(H)2	C(CCHH)2(H)2	111.3920	0.000	1	111.3920	0.000	1	113.4317	4.590	9	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:Br-1:H-1:	C(CC[6]HH)(CBrCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CC[6]HH)(CBrCH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(Br)(H)	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4]O[6]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[4]O[6]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	116.2457	2.383	3	116.2457	5.677	3	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	C(CCHH)2(H)2	110.6840	0.000	1	110.6840	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0250	0.000	1	113.0250	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCHH)2(H)2	115.3375	0.572	2	115.3375	0.327	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	115.4590	2.858	2	115.4590	8.169	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.8063	1.784	4	113.8063	3.184	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.1550	0.000	1	116.1550	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	116.6730	0.115	2	116.6730	0.013	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[5,5]CH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[5,5]CH)(CCHH)(H)2	115.6490	1.018	2	115.6490	1.037	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	114.4868	0.181	5	114.4868	0.033	5	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	116.8510	0.000	1	116.8510	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]O)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.9990	0.000	1	115.9990	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]C[6]S)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	113.3970	0.000	1	113.3970	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.6420	0.000	1	112.6420	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	113.8130	0.711	2	113.8130	0.506	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0700	0.000	1	112.0700	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	118.0560	0.000	1	118.0560	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(CN[5a]HH)(CCHH)(H)2	115.5303	0.981	3	115.5303	0.963	3	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CN[5a]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	C(CN[5a]HO)(CCHH)(H)2	116.4440	0.000	1	116.4440	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1100	1.679	2	114.1100	2.818	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.7960	0.000	1	113.7960	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	112.8780	0.000	1	112.8780	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.4010	0.000	1	114.4010	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	117.7050	0.000	1	117.7050	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6]O[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	114.2420	0.000	1	114.2420	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(H)2	C(CCHH)2(H)2	113.5318	0.659	4	113.5318	0.435	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]2N)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	111.8410	0.000	1	111.8410	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]H)(CCHH)(H)2	C(CCHH)2(H)2	119.3320	0.382	2	119.3320	0.146	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[5,6]O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.8085	0.900	2	111.8085	0.810	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5130	0.416	2	113.5130	0.173	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	115.7390	0.000	1	115.7390	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7850	0.786	4	112.7850	0.619	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]O)(CCHH)(H)2	C(CCHH)2(H)2	113.8410	0.000	1	113.8410	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.8965	0.418	2	111.8965	0.175	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2350	0.000	1	112.2350	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(CCHH)2(H)2	115.9930	0.061	2	115.9930	0.004	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Br)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Br)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3080	0.000	1	112.3080	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8631	1.261	12	112.8631	1.589	12	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	114.3748	1.136	10	114.3748	1.291	10	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	113.2272	1.156	14	113.2272	1.337	14	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	115.7840	0.000	1	115.7840	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Cl)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Cl)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2530	0.000	1	112.2530	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2347	0.415	7	113.2347	0.172	7	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	114.8867	0.293	3	114.8867	0.086	3	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	115.2534	3.668	20	115.2534	13.454	20	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	116.5054	2.601	9	116.5054	6.763	9	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	113.6880	0.000	1	113.6880	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2N)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.8560	0.526	2	111.8560	0.277	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1255	0.262	2	112.1255	0.069	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	114.4030	1.352	2	114.4030	1.828	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1890	0.000	1	112.1890	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1454	0.669	9	113.1454	0.447	9	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.6330	0.000	1	112.6330	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)2(H)2	115.5355	2.478	11	115.5355	6.141	11	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	115.8448	1.787	4	115.8448	3.195	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]OO)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]OO)(CCHH)(H)2	116.3990	0.000	1	116.3990	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCHH)2(H)2	114.3875	1.175	2	114.3875	1.379	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1100	0.187	2	112.1100	0.035	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)2(H)2	113.6628	1.541	12	113.6628	2.376	12	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]S[6]H)(CCHH)(H)2	C(CCHH)2(H)2	119.3380	2.165	2	119.3380	4.688	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0910	0.000	1	113.0910	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(CCHH)2(H)2	114.2905	0.334	2	114.2905	0.112	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	112.5160	0.000	1	112.5160	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5,6]C[6]H)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	116.7510	0.000	1	116.7510	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	C(CCHH)2(H)2	115.9460	1.441	4	115.9460	2.077	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	117.3320	0.000	1	117.3320	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	114.1641	1.186	28	114.1641	1.406	28	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]N[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.2370	0.000	1	115.2370	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	113.2075	0.077	2	113.2075	0.006	2	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3303	0.606	3	113.3303	0.368	3	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	113.3702	0.273	4	113.3702	0.074	4	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CCHH)2(H)2	112.0454	1.148	10	112.0454	1.317	10	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	111.8340	1.205	6	111.8340	1.451	6	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	113.8192	1.820	6	113.8192	3.314	6	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(C[6]S[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	111.9330	0.000	1	111.9330	0.000	1	114.1582	4.501	265	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6,6a]C[6a]C[6])(CCHH)(H)2	C(C[6]C[6,6a]2C[6a])(CCHH)(H)2	111.3580	0.000	1	111.3580	0.000	1	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	113.1650	0.000	1	113.1650	0.000	1	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	112.4709	1.740	14	112.4709	3.029	14	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	111.5330	0.000	1	111.5330	0.000	1	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(C[6]C[6]P[6]H)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(C[6]C[6]P[6]H)(CCHH)(H)2	115.9460	0.000	1	115.9460	0.000	1	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(CC[6]HH)2(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	110.6200	0.000	1	110.6200	0.000	1	112.4849	3.193	19	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	C(CC[6]HH)(CHHN)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	114.1570	0.645	2	114.1570	0.416	2	114.1570	0.416	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	114.5970	0.665	2	114.5970	0.442	2	114.5970	0.442	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C(CC[6]HH)(CP[4]HH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(P[4]C[4]2Ru)(CCHH)(H)2	C(CC[6]HH)(CP[4]HH)(H)2	C(C[6]C[6]2Ru)(CCHH)(H)2	C(P[4]C[4]2Ru)(CCHH)(H)2	112.9050	0.634	3	112.9050	0.402	3	112.9050	0.402	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C(CC[6]HI)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HN)(CCHH)(H)2	C(CC[6]HI)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HN)(CCHH)(H)2	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Ge-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CGeHH)(CCHH)(H)2	C(GePtCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CGeHH)(CCHH)(H)2	C(GePtCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.7138	1.083	4	114.7138	1.172	4	114.7138	1.172	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NAl2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NAl2C)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	110.4830	0.000	1	110.4830	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]CC)(CCHH)(H)2	C(CCHH)2(H)2	110.9990	1.158	3	110.9990	1.341	3	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]HgC)(CCHH)(H)2	C(CCHH)2(H)2	113.0915	0.009	2	113.0915	0.000	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6]ZnC)(CCHH)(H)2	C(CCHH)2(H)2	111.0310	1.073	2	111.0310	1.152	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	108.3350	0.000	1	108.3350	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)2(H)2	108.7475	1.387	2	108.7475	1.923	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3347	2.022	4	113.3347	4.088	4	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	116.3137	0.655	4	116.3137	0.429	4	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NCoHH)(CCHH)(H)2	C(CCHH)2(H)2	112.2570	0.000	1	112.2570	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NCrCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.1813	1.295	4	111.1813	1.677	4	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.3377	1.762	4	112.3377	3.104	4	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NFeCC)(CCHH)(H)2	C(CCHH)2(H)2	109.5350	2.042	6	109.5350	4.171	6	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)2(H)2	111.3560	0.000	1	111.3560	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NFeHH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.9700	0.000	1	113.9700	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.2680	1.218	8	112.2680	1.483	8	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.9710	0.000	1	111.9710	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)2(H)2	111.5260	0.000	1	111.5260	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)2(H)2	110.6060	0.502	4	110.6060	0.252	4	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3105	0.124	2	112.3105	0.015	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	117.4365	0.552	2	117.4365	0.305	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.1283	0.537	54	111.1283	0.288	54	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NPdCC)(CCHH)(H)2	C(CCHH)2(H)2	109.2310	1.133	2	109.2310	1.283	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.7040	2.580	2	112.7040	6.654	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NPdCH)(CCHH)(H)2	C(CCHH)2(H)2	113.1625	1.716	2	113.1625	2.945	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NPtCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NPtCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	111.6700	0.000	1	111.6700	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NRhHH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	112.4220	0.000	1	112.4220	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NRuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NRuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0255	0.996	2	112.0255	0.993	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NTcCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHN)(H)2	C(NTcCH)(CCHH)(H)2	C(CCHH)2(H)2	118.7040	0.396	2	118.7040	0.157	2	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHN)(H)2	C(NZnCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0324	0.808	10	111.0324	0.653	10	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CHHN)(H)2	C(NZnCH)(CCHH)(H)2	C(CCHH)(CHHN)(H)2	114.3980	0.000	1	114.3980	0.000	1	111.6792	3.758	131	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)2(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	112.1835	0.805	2	112.1835	0.649	2	111.6720	1.643	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	112.1220	2.167	2	112.1220	4.694	2	111.6720	1.643	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(CCHH)(NCCH)(H)2	110.7105	0.312	2	110.7105	0.097	2	111.6720	1.643	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(ONi3)(H)2	C(CHHN)(CHHO)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(ONi3)(H)2	114.2575	0.166	2	114.2575	0.028	2	114.2575	0.028	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	C(NC[6]HH)(CCHH)(H)2	C(CCHH)(SO3)(H)2	111.5640	0.535	2	111.5640	0.286	2	111.2350	2.328	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CHHN)(CHHS)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(SO3)(H)2	110.9060	2.503	2	110.9060	6.266	2	111.2350	2.328	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	112.3830	0.000	1	112.3830	0.000	1	113.3845	2.006	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	C(CSiHH)(CHHN)(H)2	C(NRuHH)(CCHH)(H)2	C(CCHH)(SiC3)(H)2	114.3860	0.000	1	114.3860	0.000	1	113.3845	2.006	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NAl2C)(CCHH)(H)2	C(NAl2C)(CCHH)(H)2	C(CHHN)2(H)2	C(NAl2C)(CCHH)(H)2	C(NAl2C)(CCHH)(H)2	109.8610	0.000	1	109.8610	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	C(NAlCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NAlCC)(CCHH)(H)2	C(NAlCC)(CCHH)(H)2	112.2630	3.387	2	112.2630	11.472	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6,6]ZnH)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6,6]ZnH)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	118.6185	5.936	2	118.6185	35.238	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6]PtH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6]PtH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	114.5715	0.575	2	114.5715	0.330	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]CuC)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]CuC)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	114.4830	0.000	2	114.4830	0.000	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]FeC)(CCHH)(H)2	C(NC[6a]FeC)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]FeC)(CCHH)(H)2	C(NC[6a]FeC)(CCHH)(H)2	115.5360	0.429	2	115.5360	0.184	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NC[6a]MnC)(CCHH)(H)2	C(NC[6a]MnC)(CCHH)(H)2	C(CHHN)2(H)2	C(NC[6a]MnC)(CCHH)(H)2	C(NC[6a]MnC)(CCHH)(H)2	116.7900	0.000	1	116.7900	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(NCdCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(NCdCC)(CCHH)(H)2	118.2415	0.385	2	118.2415	0.149	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(NCdCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCdCC)(CCHH)(H)2	C(NCdCH)(CCHH)(H)2	115.6150	0.000	1	115.6150	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCdCH)(CCHH)(H)2	C(NCdCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCdCH)(CCHH)(H)2	C(NCdCH)(CCHH)(H)2	116.4200	0.000	1	116.4200	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCdHH)(CCHH)(H)2	C(NCdHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCdHH)(CCHH)(H)2	C(NCdHH)(CCHH)(H)2	117.0320	0.000	1	117.0320	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoCC)(CCHH)(H)2	116.2293	2.268	35	116.2293	5.144	35	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoCH)(CCHH)(H)2	114.6019	1.335	7	114.6019	1.782	7	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoCC)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	112.9532	0.811	4	112.9532	0.658	4	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(NCoCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(NCoCH)(CCHH)(H)2	114.1961	1.006	57	114.1961	1.012	57	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoCH)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	114.5540	1.535	11	114.5540	2.355	11	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCoHH)(CCHH)(H)2	C(NCoHH)(CCHH)(H)2	113.5264	2.085	18	113.5264	4.347	18	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCrCC)(CCHH)(H)2	C(NCrCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NCrCC)(CCHH)(H)2	C(NCrCC)(CCHH)(H)2	116.6832	3.190	10	116.6832	10.175	10	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(NCrCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(NCrCH)(CCHH)(H)2	115.5066	0.835	19	115.5066	0.697	19	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(NCrHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCrCH)(CCHH)(H)2	C(NCrHH)(CCHH)(H)2	114.9590	0.989	2	114.9590	0.977	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCrHH)(CCHH)(H)2	C(NCrHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCrHH)(CCHH)(H)2	C(NCrHH)(CCHH)(H)2	114.4164	1.764	9	114.4164	3.111	9	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	115.7037	1.587	53	115.7037	2.519	53	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	115.3401	1.187	27	115.3401	1.408	27	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuCC)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	115.0322	0.825	12	115.0322	0.681	12	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	114.6843	1.113	22	114.6843	1.238	22	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuCH)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	114.3745	0.952	13	114.3745	0.907	13	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NCuHH)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	116.4563	3.591	4	116.4563	12.892	4	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(NFeCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(NFeCC)(CCHH)(H)2	115.9229	1.530	46	115.9229	2.339	46	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NFeCC)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	113.8685	0.349	2	113.8685	0.122	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NFeCH)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	114.7180	0.939	26	114.7180	0.881	26	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NFeHH)(CCHH)(H)2	C(NFeHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NFeHH)(CCHH)(H)2	C(NFeHH)(CCHH)(H)2	113.8590	0.129	2	113.8590	0.017	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NHgHH)(CCHH)(H)2	C(NHgHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NHgHH)(CCHH)(H)2	C(NHgHH)(CCHH)(H)2	117.9350	0.000	1	117.9350	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NLi2C)(CCHH)(H)2	C(NLi2C)(CCHH)(H)2	C(CHHN)2(H)2	C(NLi2C)(CCHH)(H)2	C(NLi2C)(CCHH)(H)2	116.2455	0.069	2	116.2455	0.005	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NLiCC)(CCHH)(H)2	C(NLiCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NLiCC)(CCHH)(H)2	C(NLiCH)(CCHH)(H)2	115.3280	0.000	1	115.3280	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	C(NMnCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NMnCC)(CCHH)(H)2	C(NMnCC)(CCHH)(H)2	116.6688	1.945	16	116.6688	3.782	16	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(NMnCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(NMnCH)(CCHH)(H)2	115.4981	0.959	21	115.4981	0.920	21	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(NMnHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NMnCH)(CCHH)(H)2	C(NMnHH)(CCHH)(H)2	115.7180	0.000	1	115.7180	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	C(NMnHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NMnHH)(CCHH)(H)2	C(NMnHH)(CCHH)(H)2	114.6665	0.209	2	114.6665	0.044	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NMoCH)(CCHH)(H)2	C(NMoHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NMoCH)(CCHH)(H)2	C(NMoHH)(CCHH)(H)2	115.9655	0.159	2	115.9655	0.025	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiCC)(CCHH)(H)2	115.1635	2.335	114	115.1635	5.453	114	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiCH)(CCHH)(H)2	115.1021	1.352	49	115.1021	1.829	49	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiCC)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	114.2324	2.780	13	114.2324	7.727	13	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(NNiCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(NNiCH)(CCHH)(H)2	114.6006	1.644	63	114.6006	2.704	63	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiCH)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	114.5911	1.159	11	114.5911	1.343	11	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NNiHH)(CCHH)(H)2	C(NNiHH)(CCHH)(H)2	115.0075	0.869	17	115.0075	0.754	17	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NOsCH)(CCHH)(H)2	C(NOsCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NOsCH)(CCHH)(H)2	C(NOsCH)(CCHH)(H)2	117.4500	0.000	1	117.4500	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	C(NPdCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NPdCC)(CCHH)(H)2	C(NPdCC)(CCHH)(H)2	113.3083	4.405	4	113.3083	19.404	4	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPdCH)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NPdCH)(CCHH)(H)2	C(NPdCH)(CCHH)(H)2	119.9327	5.095	3	119.9327	25.961	3	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NPdHH)(CCHH)(H)2	C(NPdHH)(CCHH)(H)2	114.1315	0.375	2	114.1315	0.141	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	C(NPtCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NPtCC)(CCHH)(H)2	C(NPtCC)(CCHH)(H)2	114.4490	0.000	1	114.4490	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPtCH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NPtCH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	114.0875	2.454	2	114.0875	6.024	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NPtHH)(CCHH)(H)2	C(NPtHH)(CCHH)(H)2	113.6160	0.901	3	113.6160	0.811	3	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	C(NReCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	C(NReCH)(CCHH)(H)2	112.8720	0.826	2	112.8720	0.682	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	C(NReHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NReCC)(CCHH)(H)2	C(NReHH)(CCHH)(H)2	113.3960	0.000	1	113.3960	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	C(NReCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	C(NReCH)(CCHH)(H)2	113.5365	0.023	2	113.5365	0.001	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	C(NReHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NReCH)(CCHH)(H)2	C(NReHH)(CCHH)(H)2	115.6387	0.374	3	115.6387	0.140	3	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NRhCH)(CCHH)(H)2	C(NRhCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NRhCH)(CCHH)(H)2	C(NRhCH)(CCHH)(H)2	116.2875	0.425	2	116.2875	0.181	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	C(NRuCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	C(NRuCC)(CCHH)(H)2	113.4987	6.764	9	113.4987	45.758	9	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NRuCC)(CCHH)(H)2	C(NRuCH)(CCHH)(H)2	116.4200	0.000	1	116.4200	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NRuHH)(CCHH)(H)2	C(NRuHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NRuHH)(CCHH)(H)2	C(NRuHH)(CCHH)(H)2	115.0335	0.784	2	115.0335	0.615	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnCC)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnCC)(CCHH)(H)2	116.9461	1.648	16	116.9461	2.717	16	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	115.9819	1.015	14	115.9819	1.031	14	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnCC)(CCHH)(H)2	C(NZnHH)(CCHH)(H)2	116.2470	0.476	3	116.2470	0.227	3	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(NZnCH)(CCHH)(H)2	115.1814	0.944	8	115.1814	0.891	8	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(NZnHH)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnCH)(CCHH)(H)2	C(NZnHH)(CCHH)(H)2	114.6470	0.764	2	114.6470	0.583	2	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)2	C(NZnHO)(CCHH)(H)2	C(NZnHO)(CCHH)(H)2	C(CHHN)2(H)2	C(NZnHO)(CCHH)(H)2	C(NZnHO)(CCHH)(H)2	116.4370	0.000	1	116.4370	0.000	1	115.1492	4.024	791	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(NCoCH)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	C(NCoCH)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	114.4985	0.740	2	114.4985	0.548	2	113.7666	1.632	11	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(NCoHH)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	C(NCoHH)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	113.4727	1.442	7	113.4727	2.080	7	113.7666	1.632	11	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(NPdHH)(CCHH)(H)2	C(PPdCC)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	C(NPdHH)(CCHH)(H)2	C(PPdCC)(CCHH)(H)2	114.0635	1.200	2	114.0635	1.440	2	113.7666	1.632	11	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	C(SRhOO)(CCHH)(H)2	C(CHHN)(CHHS)(H)2	C(NRhHH)(CCHH)(H)2	C(SRhOO)(CCHH)(H)2	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0746	1.502	5	111.0746	2.256	5	109.6705	3.319	17	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[3x6]HH)(CCHH)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)2(H)2	109.0855	1.655	12	109.0855	2.738	12	109.6705	3.319	17	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[3x6]HH)(CHHS)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[3x6]HH)(CHHS)(H)2	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CCHH)(SO3)(H)2	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[4]HH)(CHHN)(H)2	C(N[4]C[4]2Li)(CCHH)(H)2	C(NLiHH)(CCHH)(H)2	C(CN[4]HH)(CHHN)(H)2	C(N[4]C[4]2Li)(CCHH)(H)2	C(NLiHH)(CCHH)(H)2	115.6670	0.014	2	115.6670	0.000	2	115.6670	0.000	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.4930	0.000	1	110.4930	0.000	1	113.1195	13.797	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CN[5,5]HH)(CCHH)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	115.7460	0.000	1	115.7460	0.000	1	113.1195	13.797	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5,6]C[5]H)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.2270	0.000	1	117.2270	0.000	1	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.9872	7.803	22	110.9872	60.892	22	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CCHH)2(H)2	110.9522	1.007	4	110.9522	1.014	4	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	109.1160	0.000	1	109.1160	0.000	1	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Mg)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Mg)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1783	3.195	3	113.1783	10.205	3	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Zn)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[5]HH)(CCHH)(H)2	C(N[5]C[5]2Zn)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.5600	2.441	2	113.5600	5.958	2	111.4705	42.829	33	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	C(N[5]C[5,5]C[5]O)(CCHH)(H)2	118.8500	0.000	1	118.8500	0.000	1	113.6970	53.107	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	N[5]-4:C-4:H-1:H-1:	C(CN[5]HH)2(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(CN[5]HH)2(H)2	C(N[5]C[5]2C)(CCHH)(H)2	C(N[5]C[5]2C)(CCHH)(H)2	108.5440	0.000	1	108.5440	0.000	1	113.6970	53.107	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6,6]HH)(CCHH)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6,6]HH)(CCHH)(H)2	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CCHH)2(H)2	111.4780	0.000	1	111.4780	0.000	1	111.4780	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2C)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2C)(CCHH)(H)2	112.5980	0.000	1	112.5980	0.000	1	115.6220	7.108	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2H)(CCHH)(H)2	116.6340	0.000	1	116.6340	0.000	1	115.6220	7.108	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(BC[6a]2O)(CCHH)(H)2	117.6340	0.000	1	117.6340	0.000	1	115.6220	7.108	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(CH3)(H)2	109.3290	0.788	5	109.3290	0.621	5	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	117.8710	0.000	1	117.8710	0.000	1	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.0720	0.000	1	111.0720	0.000	1	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	111.1089	0.770	7	111.1089	0.594	7	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(H)2	111.1230	0.574	2	111.1230	0.330	2	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(H)2	111.4070	0.000	1	111.4070	0.000	1	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5]HH)(CCHH)(H)2	111.8475	0.401	2	111.8475	0.161	2	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CN[6]HH)(CCHH)(H)2	C(N[6]C[6]2Mg)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0680	0.000	1	112.0680	0.000	1	111.1383	3.694	20	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(NH3)(H)2	111.5625	2.344	8	111.5625	5.496	8	111.5625	5.496	8	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2C)(CCHH)(H)2	C(CCHH)(SO3)(H)2	107.1310	0.000	1	107.1310	0.000	1	110.1120	15.861	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CN[6]HH)(CHHS)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(SO3)(H)2	111.6025	4.289	2	111.6025	18.392	2	110.1120	15.861	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuCC)(CCHH)(H)2	116.7380	0.000	1	116.7380	0.000	1	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuCH)(CCHH)(H)2	113.1790	0.873	2	113.1790	0.761	2	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Cu)(CCHH)(H)2	C(NCuHH)(CCHH)(H)2	113.9107	0.442	6	113.9107	0.195	6	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Fe)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Fe)(CCHH)(H)2	C(NFeCH)(CCHH)(H)2	115.9183	0.726	4	115.9183	0.528	4	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	C(NIrCC)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	C(NIrCC)(CCHH)(H)2	115.7985	0.260	2	115.7985	0.067	2	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	C(NIrCH)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	C(N[6]C[6]2Ir)(CCHH)(H)2	C(NIrCH)(CCHH)(H)2	118.2320	0.000	1	118.2320	0.000	1	115.0039	2.350	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C(CN[6]HH)2(H)2	C(N[6]C[6]2O)(CCHH)(H)2	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	C(N[6]C[6]2O)(CCHH)(H)2	C(N[6]C[6]2O)(CCHH)(H)2	119.5560	0.615	2	119.5560	0.378	2	119.5560	0.378	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(H)2	C(OLiZn2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHO)(H)2	C(OLiZn2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PAgCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PAgCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.7933	0.930	3	114.7933	0.864	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PAuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PAuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7892	1.797	6	113.7892	3.230	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[3x6]2Ag)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[3x6]2Ag)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.1980	0.610	2	111.1980	0.372	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.8160	0.589	3	111.8160	0.347	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.1840	0.541	3	111.1840	0.293	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3885	2.256	2	112.3885	5.091	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]2O)(CCHH)(H)2	C(CCHH)2(H)2	113.4270	2.060	3	113.4270	4.244	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	115.2100	1.027	3	115.2100	1.054	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.6890	0.000	2	113.6890	0.000	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]3)(CCHH)(H)2	C(CCHH)2(H)2	112.2240	0.000	1	112.2240	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	114.4945	1.184	2	114.4945	1.403	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Au)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Au)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	114.1135	0.595	2	114.1135	0.354	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.6960	0.000	1	111.6960	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	C(CCHH)2(H)2	112.7470	0.000	1	112.7470	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	113.3923	2.089	13	113.3923	4.363	13	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CCHH)2(H)2	114.4617	1.483	12	114.4617	2.198	12	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.0460	0.000	1	111.0460	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.5020	0.000	1	111.5020	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	116.5630	1.076	2	116.5630	1.158	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(CCHH)2(H)2	110.7340	1.232	2	110.7340	1.517	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	115.6241	0.936	8	115.6241	0.875	8	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CBHH)(CCHH)(H)2	112.9060	0.000	1	112.9060	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.5445	0.733	2	111.5445	0.538	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	112.2010	1.660	3	112.2010	2.757	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)2(H)2	110.1200	0.000	2	110.1200	0.000	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	113.9223	1.900	16	113.9223	3.611	16	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CCHH)2(H)2	111.2362	0.331	4	111.2362	0.109	4	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	115.6852	1.798	6	115.6852	3.233	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(CCHH)2(H)2	112.5082	1.496	6	112.5082	2.237	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	113.8240	0.000	1	113.8240	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.9700	3.398	2	111.9700	11.549	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	114.0970	1.727	2	114.0970	2.982	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(H)2	111.0875	0.107	2	111.0875	0.011	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.0090	0.000	1	114.0090	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	115.5111	1.658	48	115.5111	2.748	48	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHH)2(H)2	114.9900	3.005	2	114.9900	9.031	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	110.3745	0.258	2	110.3745	0.067	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.3570	0.000	1	111.3570	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Sm)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Sm)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.6840	0.000	1	112.6840	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]2Te)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]2Te)(CCHH)(H)2	C(CCHH)2(H)2	112.0765	2.111	2	112.0765	4.455	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.5135	0.043	2	111.5135	0.002	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)2(H)2	112.2513	0.622	3	112.2513	0.386	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8740	0.173	2	112.8740	0.030	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	112.6975	0.254	2	112.6975	0.064	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4337	1.593	6	113.4337	2.538	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4830	0.778	2	112.4830	0.605	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.3090	0.000	1	113.3090	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]IrC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]IrC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	110.4353	0.783	3	110.4353	0.613	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.5977	1.261	3	111.5977	1.590	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]NiC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]NiC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	115.8534	0.792	12	115.8534	0.627	12	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(CCHH)2(H)2	113.6909	2.009	25	113.6909	4.037	25	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]RhC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]RhC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	111.4910	0.071	2	111.4910	0.005	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6a]RuO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6a]RuO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.4520	0.000	1	115.4520	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PCoCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0467	1.066	3	113.0467	1.136	3	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7220	0.593	6	112.7220	0.351	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PFeCC)(CCHH)(H)2	C(CCHH)2(H)2	114.5579	1.035	7	114.5579	1.070	7	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.7427	1.379	9	112.7427	1.902	9	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PIrCC)(CCHH)(H)2	C(CCHH)2(H)2	112.6820	0.846	2	112.6820	0.715	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PIrCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PIrCO)(CCHH)(H)2	C(CCHH)2(H)2	116.3095	0.449	2	116.3095	0.202	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PMoCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PMoCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4895	1.833	6	113.4895	3.360	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1605	0.729	6	112.1605	0.531	6	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8073	1.306	30	112.8073	1.707	30	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PNiCC)(CCHH)(H)2	C(CCHH)2(H)2	111.2998	0.947	12	111.2998	0.898	12	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(POsCC)(CCHH)(H)2	C(CCHH)2(H)2	112.3608	1.449	15	112.3608	2.100	15	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.1856	1.171	23	113.1856	1.370	23	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(CCHH)(CHHP)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	114.5820	1.635	2	114.5820	2.673	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.8884	1.400	68	112.8884	1.960	68	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	111.8290	0.000	1	111.8290	0.000	1	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PPtCC)(CCHH)(H)2	C(CCHH)2(H)2	113.2644	1.561	24	113.2644	2.437	24	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2177	0.975	8	113.2177	0.951	8	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PRhCC)(CCHH)(H)2	C(CCHH)2(H)2	112.3930	0.455	2	112.3930	0.207	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PRhCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHP)(H)2	C(PRhCO)(CCHH)(H)2	C(CCHH)2(H)2	115.8870	1.062	2	115.8870	1.128	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PRu2P)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PRu2P)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0670	0.293	2	113.0670	0.086	2	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PRuCC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.0589	0.686	21	113.0589	0.470	21	113.4009	3.407	492	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(SO3)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(SO3)(H)2	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	C(NMoHH)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	C(PC[6a]MoC)(CCHH)(H)2	C(NMoHH)(CCHH)(H)2	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6]2Pd)(CCHH)(H)2	C(PC[6]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6]2Pd)(CCHH)(H)2	C(PC[6]2Pd)(CCHH)(H)2	114.7330	0.000	1	114.7330	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6]2Pt)(CCHH)(H)2	C(PC[6]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6]2Pt)(CCHH)(H)2	C(PC[6]2Pt)(CCHH)(H)2	113.8093	0.346	3	113.8093	0.120	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6]NiC)(CCHH)(H)2	C(PC[6]NiC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6]NiC)(CCHH)(H)2	C(PC[6]NiC)(CCHH)(H)2	114.5660	0.755	5	114.5660	0.570	5	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Ag)(CCHH)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Ag)(CCHH)(H)2	C(PC[6a]2Ag)(CCHH)(H)2	113.5365	2.691	2	113.5365	7.239	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Au)(CCHH)(H)2	C(PC[6a]2Au)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Au)(CCHH)(H)2	C(PC[6a]2Au)(CCHH)(H)2	112.3972	1.674	9	112.3972	2.803	9	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Cl)(CCHH)(H)2	C(PC[6a]2Cl)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Cl)(CCHH)(H)2	C(PC[6a]2Cl)(CCHH)(H)2	108.2110	0.000	1	108.2110	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Co)(CCHH)(H)2	C(PC[6a]2Co)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Co)(CCHH)(H)2	C(PC[6a]2Co)(CCHH)(H)2	113.8005	1.714	11	113.8005	2.939	11	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Cr)(CCHH)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Cr)(CCHH)(H)2	C(PC[6a]2Cr)(CCHH)(H)2	114.4670	0.000	1	114.4670	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Cu)(CCHH)(H)2	C(PC[6a]2Cu)(CCHH)(H)2	114.6734	0.987	17	114.6734	0.975	17	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Fe)(CCHH)(H)2	C(PC[6a]2Fe)(CCHH)(H)2	113.3880	1.744	3	113.3880	3.042	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	115.6095	0.920	2	115.6095	0.846	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PC[6a]2Mo)(CCHH)(H)2	114.4843	0.341	3	114.4843	0.117	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PC[6a]MoC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PC[6a]MoC)(CCHH)(H)2	114.6745	0.709	2	114.6745	0.503	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PMoCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PMoCC)(CCHH)(H)2	114.8960	0.098	2	114.8960	0.010	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PMoCH)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Mo)(CCHH)(H)2	C(PMoCH)(CCHH)(H)2	114.2565	0.243	2	114.2565	0.059	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Ni)(CCHH)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Ni)(CCHH)(H)2	C(PC[6a]2Ni)(CCHH)(H)2	113.4991	1.271	8	113.4991	1.615	8	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Os)(CCHH)(H)2	C(PC[6a]2Os)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Os)(CCHH)(H)2	C(PC[6a]2Os)(CCHH)(H)2	111.1110	0.000	1	111.1110	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	113.4337	1.625	38	113.4337	2.640	38	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(PC[6a]2Pt)(CCHH)(H)2	113.6011	2.637	44	113.6011	6.953	44	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Pt)(CCHH)(H)2	C(PC[6a]PtC)(CCHH)(H)2	113.1110	0.222	2	113.1110	0.049	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Re)(CCHH)(H)2	C(PC[6a]2Re)(CCHH)(H)2	115.9180	1.459	4	115.9180	2.127	4	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	113.2418	0.913	5	113.2418	0.833	5	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]2Ru)(CCHH)(H)2	C(PC[6a]2Ru)(CCHH)(H)2	114.3437	1.081	3	114.3437	1.169	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]3)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]3)(CCHH)(H)2	C(PC[6a]3)(CCHH)(H)2	112.6053	0.970	3	112.6053	0.942	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]Au2)(CCHH)(H)2	C(PC[6a]Au2)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]Au2)(CCHH)(H)2	C(PC[6a]Au2)(CCHH)(H)2	116.2705	1.136	4	116.2705	1.291	4	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]BH)(CCHH)(H)2	C(PC[6a]BH)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]BH)(CCHH)(H)2	C(PC[6a]BH)(CCHH)(H)2	113.0030	0.000	1	113.0030	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]C[6]Ir)(CCHH)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]C[6]Ir)(CCHH)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	112.7970	0.000	1	112.7970	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]CuC)(CCHH)(H)2	C(PC[6a]CuC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]CuC)(CCHH)(H)2	C(PC[6a]CuC)(CCHH)(H)2	116.4155	0.071	2	116.4155	0.005	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	C(PC[6a]FeC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	C(PC[6a]FeC)(CCHH)(H)2	117.5785	0.415	2	117.5785	0.172	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	C(PFeCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]FeC)(CCHH)(H)2	C(PFeCC)(CCHH)(H)2	113.3600	0.899	2	113.3600	0.809	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]IrC)(CCHH)(H)2	C(PC[6a]IrC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]IrC)(CCHH)(H)2	C(PC[6a]IrC)(CCHH)(H)2	112.8673	0.899	3	112.8673	0.809	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]NiC)(CCHH)(H)2	C(PC[6a]NiC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]NiC)(CCHH)(H)2	C(PC[6a]NiC)(CCHH)(H)2	113.9317	0.956	4	113.9317	0.914	4	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]PdC)(CCHH)(H)2	C(PC[6a]PdC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]PdC)(CCHH)(H)2	C(PC[6a]PdC)(CCHH)(H)2	114.7408	0.876	6	114.7408	0.767	6	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]PtC)(CCHH)(H)2	C(PC[6a]PtC)(CCHH)(H)2	115.4472	0.723	9	115.4472	0.523	9	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PC[6a]RhC)(CCHH)(H)2	C(PC[6a]RhC)(CCHH)(H)2	C(CHHP)2(H)2	C(PC[6a]RhC)(CCHH)(H)2	C(PC[6a]RhC)(CCHH)(H)2	112.8443	0.500	4	112.8443	0.250	4	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PCoCC)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PCoCC)(CCHH)(H)2	C(PCoCC)(CCHH)(H)2	112.0935	0.364	2	112.0935	0.133	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PCuCC)(CCHH)(H)2	C(PCuCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PCuCC)(CCHH)(H)2	C(PCuCC)(CCHH)(H)2	114.6917	0.549	12	114.6917	0.302	12	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PFeCC)(CCHH)(H)2	C(PFeCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PFeCC)(CCHH)(H)2	C(PFeCC)(CCHH)(H)2	115.8830	0.000	1	115.8830	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PNiCC)(CCHH)(H)2	C(PNiCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PNiCC)(CCHH)(H)2	C(PNiCC)(CCHH)(H)2	112.9600	0.000	1	112.9600	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PPdCC)(CCHH)(H)2	C(PPdCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PPdCC)(CCHH)(H)2	C(PPdCC)(CCHH)(H)2	114.2997	6.004	11	114.2997	36.054	11	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PPtCC)(CCHH)(H)2	C(PPtCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PPtCC)(CCHH)(H)2	C(PPtCC)(CCHH)(H)2	113.7030	0.000	1	113.7030	0.000	1	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PReCC)(CCHH)(H)2	C(PReCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PReCC)(CCHH)(H)2	C(PReCC)(CCHH)(H)2	110.4190	8.013	2	110.4190	64.207	2	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PRhCC)(CCHH)(H)2	C(PRhCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PRhCC)(CCHH)(H)2	C(PRhCC)(CCHH)(H)2	114.6493	1.796	3	114.6493	3.225	3	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(H)2	C(PRuCC)(CCHH)(H)2	C(PRuCC)(CCHH)(H)2	C(CHHP)2(H)2	C(PRuCC)(CCHH)(H)2	C(PRuCC)(CCHH)(H)2	115.2161	0.815	9	115.2161	0.665	9	113.9677	4.973	252	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	C(PC[6a]2Rh)(CCHH)(H)2	C(SC[6a]OO)(CCHH)(H)2	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	C(SiCCH)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	C(PC[6a]2C)(CCHH)(H)2	C(SiCCH)(CCHH)(H)2	112.1710	0.000	1	112.1710	0.000	1	113.1055	2.246	14	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	114.9620	2.773	2	114.9620	7.691	2	113.1055	2.246	14	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiIrCC)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiIrCC)(CCHH)(H)2	112.9517	1.153	10	112.9517	1.329	10	113.1055	2.246	14	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiIrCF)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	C(PC[6a]2Ir)(CCHH)(H)2	C(SiIrCF)(CCHH)(H)2	111.8650	0.000	1	111.8650	0.000	1	113.1055	2.246	14	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5,6]C[5]Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4470	0.179	3	112.4470	0.032	3	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Au)(CCHH)(H)2	C(CCHH)2(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Au)(CCHH)(H)2	C(CCHH)2(H)2	112.4430	0.997	2	112.4430	0.994	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.0065	0.144	2	112.0065	0.021	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CCHH)2(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CCHH)2(H)2	113.6755	0.336	2	113.6755	0.113	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CC[5]HH)(CCHH)(H)2	110.6475	0.521	2	110.6475	0.272	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)2(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CCHH)2(H)2	113.5675	2.115	2	113.5675	4.473	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Se)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]C[5]2Se)(CCHH)(H)2	C(CCHH)(CH3)(H)2	111.9520	1.469	2	111.9520	2.159	2	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[5]HH)(CCHH)(H)2	C(P[5]P[5]2Sm)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CP[5]HH)(CCHH)(H)2	C(P[5]P[5]2Sm)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	112.6420	0.000	1	112.6420	0.000	1	112.4104	1.400	16	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C(CP[5]HH)2(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(CP[5]HH)2(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	C(P[5]C[5]2Pt)(CCHH)(H)2	112.7390	0.000	1	112.7390	0.000	1	112.7587	1.121	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	P[5]-4:C-4:H-1:H-1:	C(CP[5]HH)2(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	C(CP[5]HH)2(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	C(P[5]C[5]2Rh)(CCHH)(H)2	112.7685	1.497	2	112.7685	2.241	2	112.7587	1.121	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CCHH)2(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Co)(CCHH)(H)2	C(CCHH)2(H)2	111.2840	0.000	1	111.2840	0.000	1	112.3720	1.218	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Pd)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.4910	0.000	1	113.4910	0.000	1	112.3720	1.218	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[6,6]HH)(CCHH)(H)2	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.3410	0.000	1	112.3410	0.000	1	112.3720	1.218	3	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	P[6,6]-4:C-4:H-1:H-1:	C(CP[6,6]HH)2(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	C(CP[6,6]HH)2(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	C(P[6,6]C[3x6]2Pd)(CCHH)(H)2	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CP[6]HH)(CCHH)(H)2	C(P[6]C[6]2Mn)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CP[6]HH)(CCHH)(H)2	C(P[6]C[6]2Mn)(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	P[6]-4:C-4:H-1:H-1:	C(CP[6]HH)2(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	C(CP[6]HH)2(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	C(P[6]C[6]2Pt)(CCHH)(H)2	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6,6]OO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.8550	0.000	1	110.8550	0.000	1	111.8667	1.222	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	113.2290	0.000	1	113.2290	0.000	1	111.8667	1.222	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(H)2	C(CCHH)2(H)2	111.6915	0.852	2	111.6915	0.726	2	111.8667	1.222	4	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C(CHHS)2(H)2	C(SC[6a]PtO)(CCHH)(H)2	C(SC[6a]PtO)(CCHH)(H)2	C(CHHS)2(H)2	C(SC[6a]PtO)(CCHH)(H)2	C(SC[6a]PtO)(CCHH)(H)2	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(SiCCO)(CCHH)(H)2	C(CCHH)2(H)2	114.2393	0.776	3	114.2393	0.602	3	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(SiCOO)(CCHH)(H)2	C(CCHH)2(H)2	115.7570	0.332	2	115.7570	0.110	2	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[5]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[5]CC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.4940	0.000	1	112.4940	0.000	1	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[5]MnH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[5]MnH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.8540	0.000	1	113.8540	0.000	1	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CCHH)2(H)2	113.9866	0.404	8	113.9866	0.163	8	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[6a]CC)(CCHH)(H)2	C(CN[6a]HH)(CCHH)(H)2	113.2040	0.817	3	113.2040	0.667	3	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiCl2C)(CCHH)(H)2	C(CCHH)2(H)2	C(CSiHH)(CCHH)(H)2	C(SiCl2C)(CCHH)(H)2	C(CCHH)2(H)2	112.8835	0.743	2	112.8835	0.552	2	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiHHN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(SiHHN)(CCHH)(H)2	C(CCHH)(CH3)(H)2	114.1550	0.000	1	114.1550	0.000	1	113.9051	0.861	21	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]C[5,6a]2C[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	115.6910	0.000	1	115.6910	0.000	1	115.8385	0.044	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CSi[5]HH)(CCHH)(H)2	C(Si[5]N[5,6]O[5]O)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	115.9860	0.000	1	115.9860	0.000	1	115.8385	0.044	2	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHH)(CCHI)(H)2	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHH)(CCHI)(H)2	117.8130	0.000	1	117.8130	0.000	1	114.2163	4.003	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHI)(CHHO)(H)2	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	C(CCHI)(CHHO)(H)2	112.7913	0.162	3	112.7913	0.026	3	114.2163	4.003	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	C(CCCH)(CCHI)(H)2	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	C(CCCH)(CCHI)(H)2	114.5555	0.841	2	114.5555	0.707	2	114.2163	4.003	6	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:O-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(H)(O)	C(NCuCH)(CCHO)(H)2	C(NCuCH)(CCHO)(H)2	C(CHHN)2(H)(O)	C(NCuCH)(CCHO)(H)2	C(NCuCH)(CCHO)(H)2	114.4580	0.000	1	114.4580	0.000	1	114.4580	0.000	1	113.6633	11.570	24233	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CH3)(Br)(H)	C(CBrCH)2(OH)(H)	109.9465	0.105	2	109.9465	0.011	2	110.2375	0.133	4	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(Br)(H)	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(Br)(H)	C(CBrCH)2(OH)(H)	110.5285	0.221	2	110.5285	0.049	2	110.2375	0.133	4	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	112.2460	0.000	1	112.2460	0.000	1	113.4848	4.653	12	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(Cl)(H)	C(CClCH)2(OH)(H)	114.9810	0.000	1	114.9810	0.000	1	113.4848	4.653	12	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)(CH3)(OS)(H)	115.7527	0.660	4	115.7527	0.435	4	113.4848	4.653	12	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(Cl)(H)	C(CClCH)2(OH)(H)	111.7227	1.402	3	111.7227	1.964	3	113.4848	4.653	12	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(Cl)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(Cl)(H)	C(CClCH)2(OH)(H)	112.1370	1.848	3	112.1370	3.417	3	113.4848	4.653	12	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(OC)(H)	114.8800	1.553	2	114.8800	2.411	2	115.1967	1.506	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CH3)(H)2	C(CClCH)2(OH)(H)	115.8300	0.000	1	115.8300	0.000	1	115.1967	1.506	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(CN)(H)	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(OH)(H)	113.1855	0.356	2	113.1855	0.127	2	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(OH)(H)	112.6100	0.000	1	112.6100	0.000	1	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	115.4428	0.940	4	115.4428	0.883	4	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	113.3890	0.719	3	113.3890	0.518	3	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)2(OC)(H)	115.2776	0.747	5	115.2776	0.558	5	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(OC)(H)	115.0550	0.000	1	115.0550	0.000	1	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	113.8240	0.000	1	113.8240	0.000	1	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	114.6160	0.489	2	114.6160	0.239	2	114.4957	1.355	19	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C(CCHH)(CCHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(SC)(H)	C(CCHH)(CCHS)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)2(SC)(H)	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CCCH)(CCHH)(OC)(H)	112.4040	0.000	1	112.4040	0.000	1	117.2907	17.942	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CCHO)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CBrCH)(CCHH)(OC)(H)	119.7340	0.253	2	119.7340	0.064	2	117.2907	17.942	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[4,6]HH)(CCHO)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	C(C[4,6]C[4,6,6]2C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	113.4900	0.000	1	113.4900	0.000	1	113.4900	0.000	1	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	111.1250	0.000	1	111.1250	0.000	1	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCHH)(CC3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCHH)(CC3)(OH)(H)	116.1490	0.443	2	116.1490	0.196	2	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CCHH)(CHHO)(OH)(H)	113.6560	0.000	1	113.6560	0.000	1	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CC3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CC3)(OC)(H)	115.7350	0.123	2	115.7350	0.015	2	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	113.9690	0.000	1	113.9690	0.000	1	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	115.1140	0.000	1	115.1140	0.000	1	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(H)2	C(CCHH)(CH3)(OH)(H)	114.8440	0.000	1	114.8440	0.000	1	114.7196	2.643	9	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CC)(H)	115.5990	0.000	2	115.5990	0.000	2	115.5990	0.000	2	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	115.0970	0.000	1	115.0970	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(OH)(H)	112.6150	0.000	1	112.6150	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OC)(H)	116.9690	0.000	1	116.9690	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	116.0585	0.371	2	116.0585	0.138	2	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CC3)(OC)(H)	117.5850	0.000	1	117.5850	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(OH)(H)	114.4070	0.000	1	114.4070	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	114.6130	0.000	1	114.6130	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(OC)(H)	115.0000	0.000	1	115.0000	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)2(OH)(H)	114.7540	0.000	1	114.7540	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OC)(H)	113.4825	0.449	2	113.4825	0.202	2	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCCO)(CCHH)(OH)(H)	115.0210	0.581	2	115.0210	0.338	2	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CCHH)(CCHO)(OC)(H)	118.6385	1.339	2	118.6385	1.792	2	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	115.7400	0.000	1	115.7400	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(C[6]C[6]O[6]O)(CCHH)(H)2	C(CCHH)(CH3)(OC)(H)	115.9350	0.000	1	115.9350	0.000	1	115.5064	2.907	18	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	S-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	C(CCCH)(CCHH)(OC)(H)	115.3870	0.000	1	115.3870	0.000	1	114.1793	1.116	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	S-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(SC[6a]OO)(CCHH)(Br)(H)	C(CCHH)(CC3)(OC)(H)	113.5755	0.211	2	113.5755	0.045	2	114.1793	1.116	3	114.4982	4.289	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CNO)(H)	114.1630	0.000	1	114.1630	0.000	1	114.2992	0.890	11	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CCC)(H)	113.9060	0.587	2	113.9060	0.344	2	114.2992	0.890	11	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(H)	115.4640	0.000	1	115.4640	0.000	1	114.2992	0.890	11	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(CNO)(H)	113.9012	0.512	6	113.9012	0.262	6	114.2992	0.890	11	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	116.4450	0.000	1	116.4450	0.000	1	114.2992	0.890	11	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(NHS)(H)	115.8190	0.693	2	115.8190	0.480	2	115.6407	0.336	3	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(NHS)(H)	115.2840	0.000	1	115.2840	0.000	1	115.6407	0.336	3	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHI)(H)2	C(CC[6a]HH)(CCHH)(H)(I)	C(CCHH)(CH3)(CNO)(H)	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CCHH)2(CCC)(H)	114.5130	0.000	1	114.5130	0.000	1	114.2385	0.151	2	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	113.9640	0.000	1	113.9640	0.000	1	114.2385	0.151	2	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5,5]HH)(CCCH)(H)2	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5,5]HH)(CCCH)(H)2	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CCCO)(CCHH)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CCCO)(CCHH)(CCO)(H)	117.4330	0.000	1	117.4330	0.000	1	116.8000	1.391	3	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCCO)(CCHH)(CCH)(H)	115.4390	0.000	1	115.4390	0.000	1	116.8000	1.391	3	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	117.5280	0.000	1	117.5280	0.000	1	116.8000	1.391	3	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[5]HH)(CCHN)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(H)2	C(C[5]O[5]2H)(CCHH)(H)2	C(CCCH)(CCHH)(NHS)(H)	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	114.4748	0.930	4	114.4748	0.865	4	114.4748	0.865	4	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-1:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(O)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(O)	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	C(CCHH)2(NCH)(H)	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(H)2	C(CCHH)2(NCH)(H)	114.9655	0.766	2	114.9655	0.586	2	114.9655	0.586	2	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)2(OCu2)(H)	112.3130	1.400	2	112.3130	1.960	2	114.2108	4.144	5	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	C(NFeCH)(CCHH)(H)2	C(CCHH)2(OFe2)(H)	114.9405	0.944	2	114.9405	0.891	2	114.2108	4.144	5	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C(CCHO)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	C(NMnCC)(CCHH)(H)2	C(CCHH)2(OMn2)(H)	116.5470	0.000	1	116.5470	0.000	1	114.2108	4.144	5	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	S[5]-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CS[5]HH)(CCHN)(H)2	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CCHH)(NH3)(COO)(H)	C(CS[5]HH)(CCHN)(H)2	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CCHH)(NH3)(COO)(H)	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	114.7613	2.380	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	114.9470	0.000	1	114.9470	0.000	1	114.8815	0.009	2	115.4000	0.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CCCO)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(CCC)(OH)	C(CCCO)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCHH)2(CCC)(OH)	114.8160	0.000	1	114.8160	0.000	1	114.8815	0.009	2	115.4000	0.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	115.4980	0.000	1	115.4980	0.000	1	115.4980	0.000	1	115.4000	0.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	116.0945	0.483	2	116.0945	0.233	2	115.7130	0.553	3	115.4000	0.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(OH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(OH)	114.9500	0.000	1	114.9500	0.000	1	115.7130	0.553	3	115.4000	0.391	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:3:3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(COO)2	115.0360	1.469	2	115.0360	2.159	2	115.0360	2.159	2	115.0360	2.159	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:C-4:F-1:	C(CCCF)(CCFF)(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CF3)2(F)	C(CCCF)(CCFF)(F)2	C(CCFF)(CCHH)(F)2	C(CCFF)(CF3)2(F)	119.3015	2.300	4	119.3015	5.288	4	119.3015	5.288	4	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	117.1800	0.000	1	117.1800	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CBrCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	117.3850	0.000	1	117.3850	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	116.4077	1.898	3	116.4077	3.603	3	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	114.5357	1.283	3	114.5357	1.647	3	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(H)	118.4920	0.000	1	118.4920	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	C(CCHH)(CH3)2(H)	114.8195	0.547	2	114.8195	0.299	2	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)2(H)	113.5075	0.142	2	113.5075	0.020	2	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(CH3)(H)	115.4530	0.389	3	115.4530	0.151	3	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CH3)2(H)	102.0290	0.000	1	102.0290	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)2(CC3)(H)	114.6790	0.000	1	114.6790	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)3(H)	115.6710	0.000	1	115.6710	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)3(H)	114.7770	0.000	1	114.7770	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	114.5034	2.843	10	114.5034	8.080	10	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CC[6,6]HH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	112.6020	0.000	1	112.6020	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	114.9622	1.235	4	114.9622	1.526	4	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	115.9880	0.000	1	115.9880	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.3835	0.875	2	113.3835	0.765	2	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CClCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	116.8670	0.000	1	116.8670	0.000	1	114.6965	8.071	39	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)2(CH3)(H)	111.0540	0.000	1	111.0540	0.000	1	113.5155	12.118	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)2(CF3)(H)	115.9770	0.000	1	115.9770	0.000	1	113.5155	12.118	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[3,5]HH)(CC[6]CH)(H)2	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	118.6690	3.496	2	118.6690	12.222	2	118.6690	12.222	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HO)(CCCH)(CCHH)(H)	115.9840	0.000	1	115.9840	0.000	1	117.0430	2.243	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	118.1020	0.000	1	118.1020	0.000	1	117.0430	2.243	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]BrH)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CCHH)(CH3)2(H)	C(CC[5]BrH)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C(CCHH)(CH3)2(H)	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	114.5860	0.000	1	114.5860	0.000	1	113.8626	1.212	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCCO)(CCHH)(CCHO)(H)	113.5355	1.404	2	113.5355	1.970	2	113.8626	1.212	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	112.7940	0.000	1	112.7940	0.000	1	113.8626	1.212	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]N)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]O[5]N)(CCHH)(H)2	C(CCHH)2(CH3)(H)	114.8620	0.000	1	114.8620	0.000	1	113.8626	1.212	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	116.0750	0.000	1	116.0750	0.000	1	115.7730	2.658	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[5]C[6]2)(CCHH)(H)2	C(CCHH)(CH3)2(H)	118.1730	0.000	1	118.1730	0.000	1	115.7730	2.658	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCHH)2(CH3)(H)	114.9080	0.000	1	114.9080	0.000	1	115.7730	2.658	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)2(CH3)(H)	115.9370	0.000	1	115.9370	0.000	1	115.7730	2.658	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	113.7720	0.000	1	113.7720	0.000	1	115.7730	2.658	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(NPdCC)(CCHH)2(H)	C(CC[6]HH)(CCHN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(NPdCC)(CCHH)2(H)	115.2860	0.972	3	115.2860	0.946	3	115.2860	0.946	3	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)(H)2	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(NC[6]CuH)(CCHH)(H)2	C(NC[6]CuH)(CCHH)2(H)	115.5320	0.000	1	115.5320	0.000	1	114.5165	2.062	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(H)2	C(NC[6]HH)(CCHH)2(H)	113.5010	0.000	1	113.5010	0.000	1	114.5165	2.062	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CH3)2(H)	112.8230	0.000	1	112.8230	0.000	1	113.3930	0.650	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHP)(H)2	C(PC[6a]SS)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	C(PC[6a]SS)(CCHH)(H)2	C(CCHH)(CH3)2(H)	113.9630	0.000	1	113.9630	0.000	1	113.3930	0.650	2	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	117.1550	3.118	5	117.1550	9.722	5	117.1550	9.722	5	115.2738	7.868	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CH3)2(OC)	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHH)(H)2	C(CBrCH)(CH3)2(OC)	114.4270	0.000	1	114.4270	0.000	1	114.4270	0.000	1	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	114.7090	0.000	1	114.7090	0.000	1	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	114.9330	0.000	1	114.9330	0.000	1	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)2(OH)	115.1813	0.369	3	115.1813	0.136	3	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)3(OC)	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)3(OC)	115.5683	0.820	6	115.5683	0.672	6	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C(CCHH)(CH3)2(OC)	117.1180	0.000	1	117.1180	0.000	1	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(CCHH)2(CH3)(OH)	115.5300	0.000	1	115.5300	0.000	1	115.4803	0.627	13	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C(CCHH)(COPP)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(PO3)2(OH)	115.6331	1.084	11	115.6331	1.176	11	115.6331	1.176	11	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(C[3]C[3]2H)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	116.1645	0.740	2	116.1645	0.548	2	116.1645	0.548	2	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	118.3510	0.000	1	118.3510	0.000	1	118.3510	0.000	1	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(H)2	C(CCCH)(CCHH)(CH3)(OH)	116.0760	0.000	1	116.0760	0.000	1	117.6093	1.815	3	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	118.1490	0.000	1	118.1490	0.000	1	117.6093	1.815	3	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	118.6030	0.000	1	118.6030	0.000	1	117.6093	1.815	3	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C(CN[6]HH)(COPP)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	C(N[6]C[6]2H)(CCHH)(H)2	C(CCHH)(PO3)2(OH)	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CHHS)(H)2	C(SC[5a]OO)(CCHH)(H)2	C(CCHH)(CH3)2(OSi)	C(CCCO)(CHHS)(H)2	C(SC[5a]OO)(CCHH)(H)2	C(CCHH)(CH3)2(OSi)	112.6295	0.127	2	112.6295	0.016	2	112.6295	0.016	2	115.6542	1.908	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CC[3]HH)(CC3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)2(CH3)(CCO)	C(CC[3]HH)(CC3)(H)2	C(C[3]C[3]2C)(CCHH)(H)2	C(CCHH)2(CH3)(CCO)	116.2825	0.392	4	116.2825	0.154	4	116.2825	0.154	4	116.7660	0.774	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CC[5,5]HH)(CC3)(H)2	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5,5]HH)(CC3)(H)2	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	116.7660	0.774	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CC[5]HH)(CC3)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5]HH)(CC3)(H)2	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	116.7660	0.774	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(CH3)2	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)2(CH3)2	116.2690	0.000	1	116.2690	0.000	1	117.0430	1.198	2	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)(CH3)3	C(CCHH)(CC3)(H)2	C(CMoCH)(CCHH)(H)2	C(CCHH)(CH3)3	117.8170	0.000	1	117.8170	0.000	1	117.0430	1.198	2	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CH3)3	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(CH3)3	113.9895	0.739	2	113.9895	0.546	2	115.1867	4.573	3	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(CH3)2	C(CHHN)(CC3)(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)2(CH3)2	117.5810	0.000	1	117.5810	0.000	1	115.1867	4.573	3	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CSiHH)(CC3)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)2(CH3)2	C(CSiHH)(CC3)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)2(CH3)2	117.0146	0.527	16	117.0146	0.277	16	117.0146	0.277	16	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)(CC3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)3(CH3)	119.4350	0.000	1	119.4350	0.000	1	119.4350	0.000	1	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5,5]HH)(CC3)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)3	C(CN[5,5]HH)(CC3)(H)2	C(N[5,5]B[5,5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)3	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	C(CCHI)(CH3)3	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	C(CCHI)(CH3)3	115.8600	0.549	2	115.8600	0.301	2	115.8600	0.301	2	116.6918	1.597	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:1:1:	5:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PC[6]CC)(CCHH)(H)2	C(CLaHHO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	C(PC[6]CC)(CCHH)(H)2	C(CLaHHO)(CCHH)(H)2	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.6660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(OC[6a])(CCHH)(H)2	115.5400	0.000	1	115.5400	0.000	1	114.8877	0.463	3	114.8877	0.463	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(OC[6])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(OC[6])(CCHH)(H)2	114.1820	0.000	1	114.1820	0.000	1	114.8877	0.463	3	114.8877	0.463	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(OC[6a])(CCHH)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(OC[6a])(CCHH)(H)2	114.9410	0.000	1	114.9410	0.000	1	114.8877	0.463	3	114.8877	0.463	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NC)(H)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NC)(H)	C(CC[5]O)(CCHH)(H)2	115.2980	0.000	1	115.2980	0.000	1	115.2980	0.000	1	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[4]C)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[4]C)(CCHH)(H)2	117.3680	0.602	2	117.3680	0.363	2	117.3680	0.363	2	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[5,6,6]HO)(CN[6]HH)(H)2	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C(N[6]C[3x6]C[6])(CCHH)(H)2	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CN[5]S)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C(CN[5]S)(CCHH)(H)2	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C(CC[5]HO)(CHHN)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(NC[5]C)(CCHH)(H)2	C(CC[5]HO)(CHHN)(H)2	C(C[5]C[5]2H)(CCHH)(OH)(H)	C(NC[5]C)(CCHH)(H)2	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[5]C)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(OH)(H)	C(CC[5]C)(CCHH)(H)2	114.9130	0.223	2	114.9130	0.050	2	114.9130	0.050	2	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[5]C[5]2)(CCHH)(H)2	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.8620	0.000	1	113.8620	0.000	1	113.4375	0.360	2	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.0130	0.000	1	113.0130	0.000	1	113.4375	0.360	2	115.7127	3.790	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	C(NC[6a]H)(CCHH)(COO)(H)	111.3520	0.000	1	111.3520	0.000	1	114.6891	4.326	7	114.6891	4.326	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(NC[6a]H)(CCHH)(CCH)(H)	116.1633	0.820	4	116.1633	0.673	4	114.6891	4.326	7	114.6891	4.326	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(NC[6a]H)(CCHH)(COO)(H)	113.4095	0.911	2	113.4095	0.831	2	114.6891	4.326	7	114.6891	4.326	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(Cl)(H)	C(CC[5]HO)(CClCH)(OH)(H)	C(CClCH)(H)3	C(CCHO)(CH3)(Cl)(H)	C(CC[5]HO)(CClCH)(OH)(H)	C(CClCH)(H)3	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(F)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCFH)(H)3	C(CCHO)(CH3)(F)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	C(CCFH)(H)3	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(H)2	C(CCHH)2(CN)(H)	C(CCHH)(F)3	C(CCCH)(CF3)(H)2	C(CCHH)2(CN)(H)	C(CCHH)(F)3	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CC)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CC)(H)	C(CCHH)(H)3	113.5360	0.000	1	113.5360	0.000	1	113.5360	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHH)(F)3	C(CCHN)(CF3)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHH)(F)3	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NC)(H)	C(CCHH)(H)3	112.4085	0.286	2	112.4085	0.082	2	113.4008	1.217	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHH)(H)3	114.7870	0.000	1	114.7870	0.000	1	113.4008	1.217	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CClHH)(CCHH)(NC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CClHH)(CCHH)(NC)(H)	C(CCHH)(H)3	113.7000	0.846	2	113.7000	0.715	2	113.4008	1.217	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(H)3	114.5780	0.000	1	114.5780	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(H)3	113.4750	1.255	4	113.4750	1.575	4	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(H)3	113.6493	0.647	3	113.6493	0.419	3	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(H)3	112.4560	0.000	1	112.4560	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)(H)3	114.7189	2.819	15	114.7189	7.945	15	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(H)3	113.3660	0.184	3	113.3660	0.034	3	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(H)3	113.4070	0.000	1	113.4070	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(H)3	114.2775	1.214	2	114.2775	1.474	2	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[4]CC)(CCHH)(OC)(H)	C(CCHH)(H)3	112.3480	0.000	1	112.3480	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[6]CH)(CCHH)(OH)(H)	C(CCHH)(H)3	113.2590	0.000	1	113.2590	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[6]CN)(CCHH)(OC)(H)	C(CCHH)(H)3	111.5440	0.000	1	111.5440	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[6]CO)(CCHH)(OC)(H)	C(CCHH)(H)3	112.9560	0.000	1	112.9560	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(CCHH)(H)3	114.6835	0.613	2	114.6835	0.376	2	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(H)3	113.7700	0.000	1	113.7700	0.000	1	113.9992	3.993	37	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHS)(CF3)(H)2	C(CCHH)2(SC)(H)	C(CCHH)(F)3	C(CCHS)(CF3)(H)2	C(CCHH)2(SC)(H)	C(CCHH)(F)3	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(H)3	114.2500	0.519	3	114.2500	0.269	3	115.6720	12.998	11	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CH3)(SZn)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CH3)(SZn)(H)	C(CCHH)(H)3	125.9830	0.000	1	125.9830	0.000	1	115.6720	12.998	11	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd)(H)	C(CCHH)(H)3	115.3862	1.210	5	115.3862	1.463	5	115.6720	12.998	11	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPt)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPt)(H)	C(CCHH)(H)3	113.0990	0.000	1	113.0990	0.000	1	115.6720	12.998	11	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CC[6a]CF)(CCHH)(SC)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CC[6a]CF)(CCHH)(SC)(H)	C(CCHH)(H)3	113.6290	0.000	1	113.6290	0.000	1	115.6720	12.998	11	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Se-2:H-1:	C-4:F-1:F-1:F-1:	C(CSeCH)(CF3)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	C(CCHH)(F)3	C(CSeCH)(CF3)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	C(CCHH)(F)3	114.0060	1.696	2	114.0060	2.875	2	114.0060	2.875	2	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3,5,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,5,6]HO)(CH3)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[3,5,6]HO)(CH3)(H)2	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(CCHH)(OC)(H)	C(CCHH)(H)3	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,6]HO)(CH3)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[3,6]HO)(CH3)(H)2	C(C[3,6]C[3,6]C[3]C[6])(CCHH)(OC)(H)	C(CCHH)(H)3	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OC)(H)	C(CCHH)(H)3	114.8787	0.355	3	114.8787	0.126	3	114.4640	0.388	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CCHH)(H)3	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]2H)(CCHH)(OP)(H)	C(CCHH)(H)3	113.9110	0.000	1	113.9110	0.000	1	114.4640	0.388	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[3]HO)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CCHH)(H)3	113.7730	0.000	1	113.7730	0.000	1	114.4640	0.388	5	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HO)(CH3)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[4]HO)(CH3)(H)2	C(C[4]C[4,6]C[4]H)(CCHH)(OH)(H)	C(CCHH)(H)3	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CCHH)(H)3	113.2760	1.905	4	113.2760	3.630	4	113.2760	3.630	4	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CCHH)(H)3	113.8970	0.000	1	113.8970	0.000	1	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(OC)(H)	C(CCHH)(H)3	113.1815	0.585	2	113.1815	0.342	2	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CCHH)(H)3	111.8535	0.616	2	111.8535	0.379	2	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CCHH)(H)3	112.0590	0.000	1	112.0590	0.000	1	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(H)3	114.1080	0.000	1	114.1080	0.000	1	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[5]HO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(H)3	112.6340	0.000	1	112.6340	0.000	1	112.8460	0.897	8	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HS)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C(CCHH)(H)3	C(CC[5]HS)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C(CCHH)(H)3	113.4990	0.000	1	113.4990	0.000	1	113.4990	0.000	1	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CCHH)(H)3	112.6840	0.000	1	112.6840	0.000	1	113.5705	1.572	2	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CCHH)(H)3	C(CC[6]HO)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CCHH)(H)3	114.4570	0.000	1	114.4570	0.000	1	113.5705	1.572	2	114.1079	4.464	84	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCFH)(OSi)(H)	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCFH)(OSi)(H)	C(CBrCH)(OC)(H)2	113.3520	0.000	1	113.3520	0.000	1	112.6830	0.895	2	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(OC)(H)2	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(OC)(H)2	112.0140	0.000	1	112.0140	0.000	1	112.6830	0.895	2	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(OC)(H)2	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(OC)(H)2	112.7380	0.000	1	112.7380	0.000	1	113.9177	1.044	3	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(OH)(H)2	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(OH)(H)	C(CClCH)(OH)(H)2	114.5075	0.025	2	114.5075	0.001	2	113.9177	1.044	3	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHH)(OH)(H)2	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	113.3780	0.000	1	113.3780	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(OC)(H)2	111.8480	0.000	1	111.8480	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OH)(H)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OH)(H)	C(CCHH)(OS)(H)2	117.3070	0.000	1	117.3070	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OSi)(H)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OSi)(H)	C(CCHH)(OS)(H)2	115.5320	0.000	1	115.5320	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(OS)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(OS)(H)2	116.7450	0.000	1	116.7450	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(OH)(H)2	112.1490	0.000	1	112.1490	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(OC)(H)2	117.9130	0.000	1	117.9130	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(OC)(H)2	116.9130	0.000	1	116.9130	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(OH)(H)2	117.4250	0.000	1	117.4250	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(OC)(H)2	113.9128	1.000	4	113.9128	0.999	4	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OS)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)(CH3)(OS)(H)	C(CCHH)(OC)(H)2	117.0410	0.000	1	117.0410	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	C(CC[6]CC)(CCHH)(OSi)(H)	C(CCHH)(OH)(H)2	112.7965	0.037	2	112.7965	0.001	2	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(OH)(H)2	C(CCHO)(CHHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(OH)(H)2	114.0890	1.263	2	114.0890	1.595	2	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(H)2	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	C(CCHO)(CHHO)(H)2	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	111.5190	0.000	1	111.5190	0.000	1	114.5891	4.508	19	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CCHH)(OS)(H)2	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C(CCHH)(OS)(H)2	115.1030	0.000	1	115.1030	0.000	1	113.8815	2.984	2	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	C(CC[5]HO)(CHHO)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C(CCHH)(OC)(H)2	112.6600	0.000	1	112.6600	0.000	1	113.8815	2.984	2	114.3239	3.647	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:2:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:H-1:	C(CCHO)(CHOO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(OC)2(H)	C(CCHO)(CHOO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(OC)2(H)	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCH)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCH)(H)2	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCC)(H)2	114.8410	0.000	1	114.8410	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCS)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCS)(H)2	114.4720	0.000	1	114.4720	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(COO)(H)2	115.2320	0.000	1	115.2320	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	113.6630	1.327	3	113.6630	1.762	3	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCH)(H)2	116.7200	0.557	3	116.7200	0.310	3	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCC)(H)2	114.0360	0.000	1	114.0360	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	114.1245	1.624	8	114.1245	2.638	8	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCH)(H)2	130.6850	0.000	1	130.6850	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCH)(H)2	116.1052	1.893	5	116.1052	3.585	5	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CNO)(H)2	112.5010	0.000	1	112.5010	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCO)(H)2	113.5515	1.607	2	113.5515	2.583	2	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]ClH)(CCHH)(OP)(H)	C(CCHH)(COO)(H)2	113.7790	0.000	1	113.7790	0.000	1	115.2614	11.975	28	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,6,6]HO)(CHHN)(H)2	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CCHH)(NCC)(H)2	C(CC[5,6,6]HO)(CHHN)(H)2	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C(CCHH)(NCC)(H)2	116.1660	0.595	3	116.1660	0.353	3	116.1660	0.353	3	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CCHH)(CCH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C(CCHH)(CCH)(H)2	116.1600	0.000	1	116.1600	0.000	1	113.9536	2.343	5	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CCHH)(CCH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C(CCHH)(CCH)(H)2	114.9490	0.000	1	114.9490	0.000	1	113.9536	2.343	5	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CCHH)(COO)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CCHH)(COO)(H)2	113.0650	0.000	1	113.0650	0.000	1	113.9536	2.343	5	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(CHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(CHH)(H)2	112.9510	0.000	1	112.9510	0.000	1	113.9536	2.343	5	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CCHH)(CCH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]O[5]2C)(CCHH)(OH)(H)	C(CCHH)(CCH)(H)2	112.6430	0.000	1	112.6430	0.000	1	113.9536	2.343	5	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(CCHH)(CCC)(H)2	113.2460	0.798	2	113.2460	0.636	2	113.2460	0.636	2	115.0558	9.251	39	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:F-1:F-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(F)2	C(CCFF)(CCHO)(OC)(H)	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	C(CCFF)(CCHO)(OC)(H)	C(CCFF)(CCH)(OH)(H)	119.9740	0.000	1	119.9740	0.000	1	117.8590	8.946	2	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:F-1:F-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(F)2	C(CCFF)(CCHO)(OH)(H)	C(CCFF)(CCH)(OH)(H)	C(CCHO)2(F)2	C(CCFF)(CCHO)(OH)(H)	C(CCFF)(CCH)(OH)(H)	115.7440	0.000	1	115.7440	0.000	1	117.8590	8.946	2	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCH)(OH)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCH)(OH)(H)	113.6930	0.000	1	113.6930	0.000	1	113.1812	1.140	6	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(COO)(OSi)(H)	C(CCHO)2(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(COO)(OSi)(H)	112.2175	0.544	2	112.2175	0.296	2	113.1812	1.140	6	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCC)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCC)(OC)(H)	114.3105	0.152	2	114.3105	0.023	2	113.1812	1.140	6	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHH)(CCC)(OH)(H)	C(CCHO)2(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHH)(CCC)(OH)(H)	112.3380	0.000	1	112.3380	0.000	1	113.1812	1.140	6	114.3506	6.781	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:3:3:1:	C-4:C-4:H-1:I-1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	C(CCHI)(CNO)(NCH)(H)	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	C(CCHI)(CNO)(NCH)(H)	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CCHO)(H)2	119.4970	0.000	1	119.4970	0.000	1	117.2264	9.045	8	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CH3)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CBrCH)(CH3)(H)2	115.1330	0.703	5	115.1330	0.494	5	117.2264	9.045	8	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CBrCH)(H)2	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHH)(OC)(H)	C(CC[3]HH)(CBrCH)(H)2	121.3245	0.827	2	121.3245	0.683	2	117.2264	9.045	8	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	C(CClCH)(CCHH)(H)2	114.2980	0.000	1	114.2980	0.000	1	115.9902	8.513	5	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHH)(OC)(H)	C(CClCH)(CCHO)(H)2	114.3310	0.000	1	114.3310	0.000	1	115.9902	8.513	5	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHN)(OH)(H)	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHN)(OH)(H)	C(CClCH)(CCHH)(H)2	119.0935	1.012	2	119.0935	1.024	2	115.9902	8.513	5	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(OH)(H)	C(CClCH)(CCHH)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CHHO)(OH)(H)	C(CClCH)(CCHH)(H)2	113.1350	0.000	1	113.1350	0.000	1	115.9902	8.513	5	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHO)(F)2	C(CCFF)(CCHH)(OH)(H)	C(CCFF)2(F)2	C(CCFF)(CCHO)(F)2	C(CCFF)(CCHH)(OH)(H)	C(CCFF)2(F)2	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CC[5]HO)(CCFF)(F)2	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CCFF)2(F)2	C(CC[5]HO)(CCFF)(F)2	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C(CCFF)2(F)2	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(OS)(H)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHH)(OS)(H)	C(CCFH)(CCHH)(H)2	114.1230	0.000	1	114.1230	0.000	1	115.8457	1.388	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCFH)(CCHH)(H)2	117.8330	0.000	1	117.8330	0.000	1	115.8457	1.388	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CHHN)(OC)(H)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CHHN)(OC)(H)	C(CCFH)(CCHH)(H)2	115.7795	0.041	4	115.7795	0.002	4	115.8457	1.388	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:F-1:	C-4:C-4:H-1:H-1:	C(CCCF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	C(CCHH)2(H)2	C(CCCF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	C(CCHH)2(H)2	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NN)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NN)(H)	C(CCHH)2(H)2	114.4860	0.000	1	114.4860	0.000	1	115.6890	8.190	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHO)(H)2	118.9560	0.000	1	118.9560	0.000	1	115.6890	8.190	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)2(H)2	113.6250	0.000	1	113.6250	0.000	1	115.6890	8.190	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CBrCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	114.1900	0.000	1	114.1900	0.000	1	114.1900	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	120.8200	0.000	1	120.8200	0.000	1	115.5542	8.296	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(Cl)(H)	116.8630	0.000	1	116.8630	0.000	1	115.5542	8.296	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(Cl)(H)	114.5420	0.000	1	114.5420	0.000	1	115.5542	8.296	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHO)(H)2	C(CClCH)(CCHH)(OH)(H)	C(CCHH)(CH3)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(CCHH)(OH)(H)	C(CCHH)(CH3)(Cl)(H)	113.7000	0.592	3	113.7000	0.351	3	115.5542	8.296	6	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHH)(F)2	C(CCFF)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	C(CCFF)(CCHH)(F)2	114.5600	0.000	1	114.5600	0.000	1	114.5600	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CBrCC)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CBrCC)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	112.1240	0.000	1	112.1240	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	115.0378	0.380	4	115.0378	0.145	4	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)2(H)2	115.3985	2.116	2	115.3985	4.479	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)2(H)2	114.0040	0.000	1	114.0040	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	114.6700	0.000	1	114.6700	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	114.3430	0.000	1	114.3430	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	115.6060	0.000	1	115.6060	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)2(H)2	118.7990	2.586	3	118.7990	6.687	3	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[5]CH)(CCHH)(H)2	115.3390	0.000	2	115.3390	0.000	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	115.5002	1.376	5	115.5002	1.893	5	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)2(H)2	115.8028	1.900	10	115.8028	3.611	10	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)2(H)2	115.5140	0.000	1	115.5140	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CC3)(H)2	114.7270	0.000	1	114.7270	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)2(H)2	112.8945	0.168	2	112.8945	0.028	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CC[5]CO)(CCHH)(H)2	114.1490	0.000	1	114.1490	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	113.0690	0.000	1	113.0690	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	114.2230	0.000	1	114.2230	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]CH)(CCHH)(H)2	112.6803	1.055	3	112.6803	1.113	3	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]CO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]CO)(CCHH)(H)2	120.7240	0.000	1	120.7240	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CSiCO)(CCHH)(H)2	112.3490	0.000	1	112.3490	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)2(H)2	113.3510	0.000	1	113.3510	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CH3)(H)2	113.0160	0.000	2	113.0160	0.000	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHI)(OC)(H)	C(CCHH)(CCHN)(H)2	117.1060	0.000	1	117.1060	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	116.3015	0.566	2	116.3015	0.321	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CCHH)2(H)2	117.5395	0.351	2	117.5395	0.124	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	115.3070	0.799	2	115.3070	0.638	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CH3)(H)2	115.0970	1.199	2	115.0970	1.438	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)2(H)2	114.5893	1.622	7	114.5893	2.632	7	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	118.2530	0.000	1	118.2530	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	114.6892	1.321	5	114.6892	1.746	5	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(H)2	113.4960	0.000	1	113.4960	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)2(H)2	115.2126	2.897	8	115.2126	8.393	8	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OS)(H)	C(CCHH)2(H)2	114.3150	0.000	1	114.3150	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	113.2220	0.000	1	113.2220	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(H)2	115.3627	1.952	26	115.3627	3.810	26	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CH3)(H)2	115.1455	1.101	2	115.1455	1.212	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)2(H)2	114.7000	0.823	13	114.7000	0.677	13	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	116.2615	0.019	2	116.2615	0.000	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHN)(H)2	111.7545	1.992	6	111.7545	3.968	6	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CHHO)(H)2	112.0690	0.000	1	112.0690	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)2(H)2	114.0019	2.377	24	114.0019	5.650	24	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)2(H)2	115.1780	1.582	21	115.1780	2.502	21	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	C(CCHH)2(H)2	113.3170	0.000	1	113.3170	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	112.6950	0.378	3	112.6950	0.143	3	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	C(CC[5,5]HH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	C(CC[5,5]HH)(CCHH)(H)2	117.0360	0.000	1	117.0360	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]HO)(CCHH)(OC)(H)	C(CCHH)2(H)2	116.0310	0.000	1	116.0310	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6]CH)(CCHH)(OC)(H)	C(CC[6]CC)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]CH)(CCHH)(OC)(H)	C(CC[6]CC)(CCHH)(H)2	116.6750	0.000	1	116.6750	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	114.7190	0.000	1	114.7190	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	116.3490	0.000	1	116.3490	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)2(H)2	112.3800	1.039	2	112.3800	1.080	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]CC)(CCHH)(OH)(H)	C(CCHH)(CHHN)(H)2	117.9715	5.310	2	117.9715	28.193	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)2(H)2	115.6780	0.000	1	115.6780	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(CC[6a]HO)(CCHH)(H)2	115.7100	0.000	1	115.7100	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CHHO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(CCHH)(CHHO)(H)2	114.0360	0.393	4	114.0360	0.154	4	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	C(CCHH)2(H)2	115.4910	2.226	2	115.4910	4.955	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	C(CCHH)2(H)2	113.5050	0.000	1	113.5050	0.000	1	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(OC)(H)	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CPdCH)(CCHH)(OC)(H)	C(CPdCH)(CCHH)(H)2	114.4510	0.446	3	114.4510	0.198	3	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(OC)(H)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHO)(H)2	C(CPtCH)(CCHH)(OC)(H)	C(CPtCH)(CCHH)(H)2	115.5460	0.800	2	115.5460	0.641	2	114.8484	4.178	201	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(SC[6a]OO)(CCHH)(H)2	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(SC[6a]OO)(CCHH)(H)2	110.7180	0.322	2	110.7180	0.104	2	110.7180	0.104	2	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SC)(H)	C(CCHH)2(H)2	117.2235	1.924	2	117.2235	3.702	2	117.2870	1.863	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(SC)(H)	C(CCHH)2(H)2	117.4140	0.000	1	117.4140	0.000	1	117.2870	1.863	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	114.8520	0.000	1	114.8520	0.000	1	114.9530	3.470	4	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]2H)(CCHH)(OH)(H)	C(CCHH)2(H)2	116.9790	0.000	1	116.9790	0.000	1	114.9530	3.470	4	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	C(CCHH)2(H)2	112.5000	0.000	1	112.5000	0.000	1	114.9530	3.470	4	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[3]HO)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	115.4810	0.000	1	115.4810	0.000	1	114.9530	3.470	4	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[4]2O)(CCHH)(OH)(H)	C(CCHH)2(H)2	114.0350	0.000	1	114.0350	0.000	1	115.6467	2.113	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[4]HO)(CCHH)(H)2	C(C[4]C[6a]C[4]2)(CCHH)(OH)(H)	C(CCHH)2(H)2	116.4525	0.575	2	116.4525	0.330	2	115.6467	2.113	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[4]HO)(CC[6]HH)(H)2	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[4]HO)(CC[6]HH)(H)2	C(C[4]C[4]2H)(CCHH)(OH)(H)	C(C[6]C[6]2H)(CCHH)(H)2	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HS)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(SC)(H)	C(CCHH)2(H)2	C(CC[4]HS)(CCHH)(H)2	C(C[4]C[4]2H)(CCHH)(SC)(H)	C(CCHH)2(H)2	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(CCHO)(Br)(H)	C(CC[5]HO)(CBrCH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(CCHO)(Br)(H)	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[3,6]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C(CC[3,6]HH)(CCHH)(H)2	112.5240	0.000	1	112.5240	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2C)(CCHH)(OH)(H)	C(CCHH)2(H)2	115.9280	0.000	1	115.9280	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(OH)(H)	C(CCHH)2(H)2	112.4355	1.350	2	112.4355	1.822	2	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C(CCHH)2(H)2	114.3850	0.000	1	114.3850	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CBrHH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CBrHH)(CCHH)(H)2	112.0120	0.000	1	112.0120	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C(CC[5]HH)(CCHH)(H)2	113.4080	0.000	1	113.4080	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)(CH3)(H)2	114.0150	0.052	2	114.0150	0.003	2	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]BrH)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CC[5]BrH)(CCHH)(H)2	115.2680	0.000	1	115.2680	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	112.0210	0.000	1	112.0210	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)2(H)2	115.9095	1.644	4	115.9095	2.701	4	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C(CC[5]HO)(CCHH)(H)2	113.9090	0.000	1	113.9090	0.000	1	114.1246	3.003	16	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	115.7670	0.451	2	115.7670	0.204	2	115.8690	0.133	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HO)(H)2	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C(C[5]C[5]2H)(CCHH)(H)2	116.0730	0.000	1	116.0730	0.000	1	115.8690	0.133	3	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C(CCHH)(CH3)(H)2	C(CC[5]HS)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C(CCHH)(CH3)(H)2	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CCHH)2(H)2	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(CCHH)2(H)2	110.2380	0.000	1	110.2380	0.000	1	112.9995	15.252	2	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(H)2	115.7610	0.000	1	115.7610	0.000	1	112.9995	15.252	2	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[6]HO)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(OC)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:S-2:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]2H)(CCHH)(SC)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CC[6]HH)(CC[6]HS)(H)2	C(C[6]C[6]2H)(CCHH)(SC)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	115.2770	0.000	1	115.2770	0.000	1	115.2770	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CH3)(H)2	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHOP)(H)2	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CHOP)(H)2	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CH3)(H)2	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(PC[6a]2Pd)(CCHH)(H)2	C(CHHP)(CHOP)(H)2	C(PC[6a]2Pd)(CCHH)(OH)(H)	C(PC[6a]2Pd)(CCHH)(H)2	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	114.9813	4.660	276	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:F-1:F-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(F)2	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCFF)(CHHO)(OC)(H)	C(CCHO)2(F)2	C(CC[6a]HO)(CCFF)(OC)(H)	C(CCFF)(CHHO)(OC)(H)	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(OC)(H)	112.1460	0.000	1	112.1460	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)(OC)(H)	113.8490	0.000	1	113.8490	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)2(OSi)(H)	112.8310	0.000	1	112.8310	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)2(OH)(H)	118.1990	0.000	1	118.1990	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CC3)(OSi)(H)	C(CCHH)2(OSi)(H)	C(CCHO)2(H)2	C(CCHH)(CC3)(OSi)(H)	C(CCHH)2(OSi)(H)	119.6810	0.000	1	119.6810	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CH3)(OC)(H)	116.2637	2.033	3	116.2637	4.133	3	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)2(OH)(H)	116.0840	0.000	1	116.0840	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CH3)(OC)(H)	116.8396	0.719	5	116.8396	0.517	5	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CF3)(OH)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CF3)(OH)(H)	C(CCHH)2(OH)(H)	113.3155	0.111	2	113.3155	0.012	2	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CH3)(OC)(H)	116.2360	1.773	3	116.2360	3.145	3	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CH3)(OH)(H)	114.9595	0.770	2	114.9595	0.593	2	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(OC)(H)	114.1900	0.000	1	114.1900	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CH3)(OC)(H)	C(CCHH)2(OH)(H)	114.6890	0.991	2	114.6890	0.983	2	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CH3)(OH)(H)	C(CCHH)2(OC)(H)	115.4205	0.289	2	115.4205	0.084	2	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHH)2(OC)(H)	115.2983	1.790	3	115.2983	3.204	3	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHH)2(OH)(H)	113.7060	0.000	1	113.7060	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	113.9320	0.000	1	113.9320	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(CC[6]HH)(CCHH)(OH)(H)	113.9560	1.855	3	113.9560	3.439	3	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	115.2460	0.000	1	115.2460	0.000	1	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(H)2	C(CPdCH)(CCHH)(OSi)(H)	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	C(CPdCH)(CCHH)(OSi)(H)	C(CCHH)(CH3)(OSi)(H)	116.0725	0.568	2	116.0725	0.322	2	115.3578	3.238	37	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:S-2:H-1:	C(CCHS)2(H)2	C(CCHH)(CH3)(SC)(H)	C(CCHH)(CH3)(SC)(H)	C(CCHS)2(H)2	C(CCHH)(CH3)(SC)(H)	C(CCHH)(CH3)(SC)(H)	117.4815	0.095	4	117.4815	0.009	4	117.4815	0.009	4	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C(CCHH)2(OC)(H)	118.0370	0.000	1	118.0370	0.000	1	116.5133	6.141	3	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	117.8490	0.000	1	117.8490	0.000	1	116.5133	6.141	3	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C(CCHH)(CH3)(OH)(H)	113.6540	0.000	1	113.6540	0.000	1	116.5133	6.141	3	115.6505	3.375	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CH3)(CCS)(H)	119.3262	1.480	5	119.3262	2.191	5	116.9573	12.557	8	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	114.6080	0.000	1	114.6080	0.000	1	116.9573	12.557	8	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(CCHH)(CH3)(CCC)(H)	112.6970	0.000	1	112.6970	0.000	1	116.9573	12.557	8	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	111.7220	0.000	1	111.7220	0.000	1	116.9573	12.557	8	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C(CC[5a]HO)(CCHH)(CCC)(H)	115.7990	0.461	4	115.7990	0.212	4	115.6803	0.179	6	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5a]HH)(CCHH)(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C(CC[5a]HH)(CCHH)(CCC)(H)	115.6570	0.000	1	115.6570	0.000	1	115.6803	0.179	6	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C(CCHH)2(CCC)(H)	115.2290	0.000	1	115.2290	0.000	1	115.6803	0.179	6	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C(CC[6]HO)(CCHN)(H)2	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	C(C[6]C[6]2H)(CCHH)(OSi)(H)	C(CCHH)(CHOO)(NCC)(H)	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	116.1559	7.184	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:3:2:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C(CCCO)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(CCHH)(CH3)(CCH)(OH)	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	113.8970	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NC)(H)	C(CCHH)(CH3)2(H)	115.8010	0.000	1	115.8010	0.000	1	113.9050	7.190	2	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NS)(H)	C(CCHH)(CH3)2(H)	112.0090	0.000	1	112.0090	0.000	1	113.9050	7.190	2	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Cl-1:	C(CClCC)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CH3)2(Cl)	C(CClCC)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CH3)2(Cl)	116.7640	0.000	1	116.7640	0.000	1	116.7640	0.000	1	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)2(H)	114.1780	0.000	1	114.1780	0.000	1	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	116.3220	0.000	2	116.3220	0.000	2	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)2(H)	118.8314	1.742	7	118.8314	3.036	7	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)2(H)	121.0600	0.000	1	121.0600	0.000	1	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)2(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHH)2(CH3)(H)	116.7422	0.681	4	116.7422	0.464	4	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CHHO)(OC)(H)	C(CSiCH)(CCHH)2(H)	117.0460	0.000	1	117.0460	0.000	1	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(CCCH)(CCHH)2(H)	113.7850	0.000	1	113.7850	0.000	1	117.5001	4.675	17	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	C(C[5]C[5]2O)(CCHH)(OC)(H)	C(CCHH)(CHHO)(CH3)(H)	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]2H)(CCHH)(OH)(H)	C(CCHH)(CH3)2(H)	115.6090	1.702	4	115.6090	2.896	4	115.6691	2.000	7	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	115.7700	0.000	1	115.7700	0.000	1	115.6691	2.000	7	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OC)(H)	C(CCHH)2(CH3)(H)	114.4590	0.000	1	114.4590	0.000	1	115.6691	2.000	7	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(OH)(H)	C(CCHH)(CH3)2(H)	117.0190	0.000	1	117.0190	0.000	1	115.6691	2.000	7	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHOP)(H)2	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CHOP)(H)2	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCHH)(CH3)2(H)	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CP[5]HO)(CCCH)(H)2	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	C(CP[5]HO)(CCCH)(H)2	C(P[5]N[5]2O)(CCHH)(OC)(H)	C(CCHH)(CH3)2(H)	116.2460	0.000	1	116.2460	0.000	1	116.2460	0.000	1	116.7777	4.802	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[4,5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[4,5]HO)(CC[5]CO)(H)2	C(C[4,5]C[4,5]C[4]O[5])(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	118.7380	6.252	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HO)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	118.7380	6.252	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(CCH)	119.5762	1.500	5	119.5762	2.251	5	119.8124	1.514	8	119.8124	1.514	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(CCH)	120.2060	0.652	3	120.2060	0.425	3	119.8124	1.514	8	119.8124	1.514	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(CCHH)2(CCHO)(CH3)	118.6580	0.000	1	118.6580	0.000	1	119.3925	1.079	2	119.3925	1.079	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(CCHH)2(CCHO)(CH3)	120.1270	0.000	1	120.1270	0.000	1	119.3925	1.079	2	119.3925	1.079	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)(CCHN)(CC)(OH)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)(CCHN)(CC)(OH)	C(CCHH)(H)3	113.8950	0.297	2	113.8950	0.088	2	113.8950	0.088	2	113.7665	0.096	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C(CCOO)(CH3)(H)2	C(CCHH)2(OO)2	C(CCHH)(H)3	C(CCOO)(CH3)(H)2	C(CCHH)2(OO)2	C(CCHH)(H)3	113.7451	0.320	12	113.7451	0.102	12	113.7451	0.102	12	113.7665	0.096	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	114.2510	3.998	2	114.2510	15.984	2	114.2510	15.984	2	114.7706	1.945	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:C-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	114.7706	1.945	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C(CCHH)(CCOO)(H)2	C(CCHH)2(OO)2	C(CCHH)2(H)2	C(CCHH)(CCOO)(H)2	C(CCHH)2(OO)2	C(CCHH)2(H)2	114.8044	1.125	18	114.8044	1.266	18	114.8044	1.266	18	114.7706	1.945	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C(CC[6]OO)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]HH)(CCHH)(H)2	C(CC[6]OO)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	C(CC[6]HH)(CCHH)(H)2	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	114.7706	1.945	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:2:2:	4:4:2:2:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	C(CCOO)2(H)2	C(CCHH)(CF3)(OC)(OH)	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	C(CCHH)(CF3)(OC)(OH)	C(CCHH)(CF3)(OC)(OH)	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	112.0160	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C(CC[6]HN)(CHHS)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(SC[6a])(CCHH)(H)2	C(CC[6]HN)(CHHS)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(SC[6a])(CCHH)(H)2	114.9665	0.282	2	114.9665	0.080	2	114.9665	0.080	2	114.9665	0.080	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[6]O)(CCHH)(H)2	114.9760	0.000	1	114.9760	0.000	1	114.9760	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(H)2	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(H)2	113.9310	0.000	1	113.9310	0.000	1	112.7355	2.858	2	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(H)2	111.5400	0.000	1	111.5400	0.000	1	112.7355	2.858	2	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.8490	0.000	1	113.8490	0.000	1	113.8490	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NOO)(H)	C(CC[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NOO)(H)	C(CC[5]O)(CCHH)(H)2	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	113.8790	0.000	1	113.8790	0.000	1	113.8790	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CN[5]O)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CN[5]O)(CCHH)(H)2	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[5,6]HN)(CC[6a]HH)(H)2	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	116.2025	0.938	2	116.2025	0.880	2	116.2025	0.880	2	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.6950	0.000	1	114.6950	0.000	1	114.6950	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[5]HN)(H)2	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.6980	0.000	1	114.6980	0.000	1	114.6980	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CC[6]HN)(H)2	C(C[6]C[6]2H)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	114.0580	2.208	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	3:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[5]-3:C-4:O-2:H-1:	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(OC)(H)	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCHH)(OC)(H)	116.3945	0.470	2	116.3945	0.221	2	116.3945	0.221	2	116.3945	0.221	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-3:Br-1:	C-4:H-1:H-1:H-1:	C(CBrCC)(CH3)(Br)(H)	C(CBrCH)(CH3)(CNO)(Br)	C(CBrCH)(H)3	C(CBrCC)(CH3)(Br)(H)	C(CBrCH)(CH3)(CNO)(Br)	C(CBrCH)(H)3	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCFH)(H)3	C(CCHN)(CH3)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(CCFH)(H)3	114.8365	0.227	2	114.8365	0.052	2	114.8365	0.052	2	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CBCH)(CH3)(H)2	C(BC[5]FF)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CBCH)(CH3)(H)2	C(BC[5]FF)(CCHH)(COO)(H)	C(CCHH)(H)3	113.4650	0.000	1	113.4650	0.000	1	113.9270	0.310	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	B-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CBCH)(CH3)(H)2	C(BC[5]HH)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CBCH)(CH3)(H)2	C(BC[5]HH)(CCHH)(COO)(H)	C(CCHH)(H)3	114.1580	0.547	2	114.1580	0.300	2	113.9270	0.310	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCCH)(CCl3)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)(Cl)3	C(CCCH)(CCl3)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)(Cl)3	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)(H)3	113.5760	0.429	4	113.5760	0.184	4	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(H)3	113.2320	0.000	1	113.2320	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(COO)(H)	C(CCHH)(H)3	113.1510	0.000	1	113.1510	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(H)3	111.9880	0.000	1	111.9880	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(H)3	111.6390	0.000	1	111.6390	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)(H)3	114.1294	0.773	5	114.1294	0.597	5	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(H)3	114.0153	0.787	3	114.0153	0.620	3	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)(H)3	114.0640	0.000	1	114.0640	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(H)3	112.5574	1.904	18	112.5574	3.626	18	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CSS)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CH3)(CSS)(H)	C(CCHH)(H)3	110.5140	0.000	1	110.5140	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CHHN)(CCN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CHHN)(CCN)(H)	C(CCHH)(H)3	113.0690	0.000	1	113.0690	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	C(CCHH)(H)3	112.7248	1.420	4	112.7248	2.018	4	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CHN)(H)	C(CCHH)(H)3	112.4650	0.000	1	112.4650	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CNO)(H)	C(CCHH)(H)3	113.8610	0.000	1	113.8610	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(COO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(COO)(H)	C(CCHH)(H)3	131.4640	0.000	1	131.4640	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CHO)(H)	C(CCHH)(H)3	113.5350	0.000	1	113.5350	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CNO)(H)	C(CCHH)(H)3	113.5540	0.000	1	113.5540	0.000	1	113.4014	9.598	46	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(H)3	114.2615	0.274	2	114.2615	0.075	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCFF)(CCHH)(NHS)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCFF)(CCHH)(NHS)(H)	C(CCHH)(H)3	113.5880	0.000	1	113.5880	0.000	1	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(H)3	112.7920	0.000	1	112.7920	0.000	1	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(H)3	114.4355	0.809	4	114.4355	0.655	4	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(H)3	114.0995	0.813	6	114.0995	0.661	6	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(H)3	113.4225	0.060	2	113.4225	0.004	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHH)(H)	C(CCHH)(H)3	113.8144	5.332	8	113.8144	28.433	8	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHP)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NHP)(H)	C(CCHH)(H)3	112.1830	4.023	2	112.1830	16.188	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHH)(H)3	113.7165	0.992	4	113.7165	0.985	4	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(H)3	114.2766	1.253	11	114.2766	1.569	11	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHH)(H)	C(CCHH)(H)3	110.4590	0.000	1	110.4590	0.000	1	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHS)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NHS)(H)	C(CCHH)(H)3	113.8560	0.000	1	113.8560	0.000	1	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NMnC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NMnC)(H)	C(CCHH)(H)3	113.4095	0.059	2	113.4095	0.003	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NSnC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NSnC)(H)	C(CCHH)(H)3	113.7130	0.000	1	113.7130	0.000	1	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)(H)3	113.7705	0.645	4	113.7705	0.416	4	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)2(NCuC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)2(NCuC)(H)	C(CCHH)(H)3	114.2965	0.042	2	114.2965	0.002	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)2(NZnC)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)2(NZnC)(H)	C(CCHH)(H)3	113.5595	0.275	4	113.5595	0.076	4	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CC[6a]CH)(CCHH)(NCH)(H)	C(CCHH)(H)3	113.0255	1.599	2	113.0255	2.556	2	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(CCHH)(H)3	114.5343	0.176	3	114.5343	0.031	3	113.8244	4.500	61	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(H)2	C(CCHH)(CHHO)(OAl2)(H)	C(CCHH)(H)3	C(CCHO)(CH3)(H)2	C(CCHH)(CHHO)(OAl2)(H)	C(CCHH)(H)3	111.7650	0.057	2	111.7650	0.003	2	111.7650	0.003	2	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd2)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd2)(H)	C(CCHH)(H)3	112.6495	0.231	2	112.6495	0.053	2	114.1983	2.633	7	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPdC)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPdC)(H)	C(CCHH)(H)3	115.9020	0.301	3	115.9020	0.091	3	114.1983	2.633	7	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(CCHH)(CHHS)(SFe2)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(CCHH)(CHHS)(SFe2)(H)	C(CCHH)(H)3	113.1915	0.176	2	113.1915	0.031	2	114.1983	2.633	7	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(H)3	113.9766	0.708	19	113.9766	0.501	19	113.9766	0.501	19	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C(CCHH)(H)3	113.5630	0.000	1	113.5630	0.000	1	113.2257	0.499	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CCHH)(H)3	113.0570	0.909	2	113.0570	0.827	2	113.2257	0.499	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C(CCHH)(H)3	114.0440	0.000	1	114.0440	0.000	1	114.1020	0.616	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C(CCHH)(H)3	114.9140	0.000	1	114.9140	0.000	1	114.1020	0.616	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CCHH)(H)3	C(CC[5]HN)(CH3)(H)2	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C(CCHH)(H)3	113.3480	0.000	1	113.3480	0.000	1	114.1020	0.616	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(CCH)(H)	C(CCHH)(H)3	113.0000	0.000	1	113.0000	0.000	1	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CNO)(H)	C(CCHH)(H)3	112.9132	0.590	5	112.9132	0.349	5	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(COO)(H)	C(CCHH)(H)3	112.8350	1.270	2	112.8350	1.613	2	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCO)(H)	C(CCHH)(H)3	114.3075	0.996	2	114.3075	0.993	2	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	C(CCHH)(H)3	114.8590	0.000	1	114.8590	0.000	1	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(COO)(H)	C(CCHH)(H)3	112.9120	0.000	1	112.9120	0.000	1	113.3018	0.898	12	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CCHH)(H)3	C(CC[6]HN)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CCHH)(H)3	112.5633	0.965	3	112.5633	0.932	3	112.5633	0.932	3	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CCHH)(CCH)(H)	C(CCHH)(H)3	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	113.6785	4.836	164	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)(OH)(H)2	113.9350	0.322	2	113.9350	0.104	2	114.1753	0.225	3	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CNO)(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CNO)(H)	C(CCHH)(OH)(H)2	114.6560	0.000	1	114.6560	0.000	1	114.1753	0.225	3	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCFH)(CCHH)(NCC)(H)	C(CCHH)(OSi)(H)2	C(CCHN)(CHHO)(H)2	C(CCFH)(CCHH)(NCC)(H)	C(CCHH)(OSi)(H)2	112.3460	0.000	1	112.3460	0.000	1	114.1965	1.822	4	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)(CC3)(NHS)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)(CC3)(NHS)(H)	C(CCHH)(OH)(H)2	114.0710	0.000	1	114.0710	0.000	1	114.1965	1.822	4	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(OC)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(OC)(H)2	115.1845	0.269	2	115.1845	0.073	2	114.1965	1.822	4	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(OH)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(OH)(H)2	114.2235	0.026	2	114.2235	0.001	2	114.2235	0.001	2	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(SC)(H)2	110.5300	0.000	1	110.5300	0.000	1	114.2940	1.809	32	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SC)(H)2	113.9775	1.265	20	113.9775	1.600	20	114.2940	1.809	32	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SH)(H)2	C(CCHN)(CHHS)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SH)(H)2	115.2116	0.157	11	115.2116	0.025	11	114.2940	1.809	32	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SeC)(H)2	C(CSeHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(SeC)(H)2	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	114.1140	0.000	1	114.1140	0.000	1	113.5470	0.944	11	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	113.5699	1.102	7	113.5699	1.215	7	113.5470	0.944	11	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	C(CCHH)(SC)(H)2	114.2680	0.000	1	114.2680	0.000	1	113.5470	0.944	11	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	113.1830	0.000	1	113.1830	0.000	1	113.5470	0.944	11	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NNiHH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	C(CCHN)(CHHS)(H)2	C(NNiHH)(CCHH)(COO)(H)	C(CCHH)(SC)(H)2	112.4630	0.000	1	112.4630	0.000	1	113.5470	0.944	11	114.1061	1.472	53	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(NCH)(H)	C(CClCH)(NCH)(H)2	C(CCHN)(CHHN)(Cl)(H)	C(CClCH)(CCHH)(NCH)(H)	C(CClCH)(NCH)(H)2	114.2707	1.072	3	114.2707	1.149	3	114.2707	1.149	3	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(F)2	C(CCFF)(CHHO)(NCH)(H)	C(CCFF)(CCH)(H)2	C(CCHH)(CCHN)(F)2	C(CCFF)(CHHO)(NCH)(H)	C(CCFF)(CCH)(H)2	119.3860	0.000	1	119.3860	0.000	1	119.3860	0.000	1	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCO)(H)	C(CCHH)(CCC)(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCO)(H)	C(CCHH)(CCC)(H)2	116.4100	0.000	1	116.4100	0.000	1	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(CCH)(H)2	114.5870	0.000	1	114.5870	0.000	1	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(CCH)(H)2	119.7100	0.000	1	119.7100	0.000	1	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(CCH)(H)2	113.5743	1.522	3	113.5743	2.315	3	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(CCH)(H)2	112.1050	0.000	3	112.1050	0.000	3	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)(COO)(H)2	112.2270	0.000	1	112.2270	0.000	1	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[3]HO)(CCHH)(CCC)(H)	C(CCHH)(CCC)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3]HO)(CCHH)(CCC)(H)	C(CCHH)(CCC)(H)2	115.5170	0.000	1	115.5170	0.000	1	114.1354	5.995	11	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)(NCC)(H)2	114.4725	0.812	2	114.4725	0.660	2	114.4725	0.660	2	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCC)(H)	C(CCHH)(CCH)(H)2	114.2235	0.104	2	114.2235	0.011	2	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCH)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCH)(H)2	113.1290	0.000	1	113.1290	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	113.3792	1.160	12	113.3792	1.345	12	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	112.8790	1.789	4	112.8790	3.199	4	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(COO)(H)2	113.4290	0.000	1	113.4290	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(COO)(H)2	115.5890	0.000	1	115.5890	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CNO)(H)2	113.3470	0.000	1	113.3470	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(COO)(H)2	113.6860	0.000	1	113.6860	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(COO)(H)2	112.2060	0.000	1	112.2060	0.000	1	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CNO)(H)2	113.8198	1.780	11	113.8198	3.168	11	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(COO)(H)2	113.1508	0.870	5	113.1508	0.757	5	113.4918	1.791	40	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(NCC)(H)2	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SRhC)(H)	C(CCHH)(CHH)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(SRhC)(H)	C(CCHH)(CHH)(H)2	110.0060	0.000	1	110.0060	0.000	1	110.0060	0.000	1	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-3:F-1:H-1:	C(CCFH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CNO)(F)(H)	C(CCFH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CNO)(F)(H)	113.9945	0.108	2	113.9945	0.012	2	113.9945	0.012	2	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CNO)(H)2	111.9660	0.000	1	111.9660	0.000	1	113.4567	1.430	27	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(COO)(H)2	114.7910	0.000	1	114.7910	0.000	1	113.4567	1.430	27	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CNO)(H)2	113.9982	0.620	6	113.9982	0.385	6	113.4567	1.430	27	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(COO)(H)2	113.2939	1.269	19	113.2939	1.610	19	113.4567	1.430	27	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C(CCHH)(CCH)(H)2	114.0474	0.576	5	114.0474	0.332	5	113.9208	0.362	6	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C(CCHH)(CCH)(H)2	113.2880	0.000	1	113.2880	0.000	1	113.9208	0.362	6	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(COO)(H)2	114.5445	0.179	2	114.5445	0.032	2	112.7138	15.713	5	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(COO)(H)2	111.4933	5.082	3	111.4933	25.823	3	112.7138	15.713	5	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	C(CCHH)(SCuC)(H)2	C(CCHN)(CHHS)(H)2	C(NCuCH)(CCHH)(COO)(H)	C(CCHH)(SCuC)(H)2	117.1756	0.620	5	117.1756	0.384	5	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	C(CCHH)(SNiC)(H)2	C(CCHN)(CHHS)(H)2	C(NNiCC)(CCHH)(CNO)(H)	C(CCHH)(SNiC)(H)2	118.3550	0.000	1	118.3550	0.000	1	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(SNiC)(H)2	C(CCHN)(CHHS)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(SNiC)(H)2	116.3563	1.506	3	116.3563	2.267	3	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NPtHH)(CCHH)(COO)(H)	C(CCHH)(SPtC)(H)2	C(CCHN)(CHHS)(H)2	C(NPtHH)(CCHH)(COO)(H)	C(CCHH)(SPtC)(H)2	112.2910	0.286	2	112.2910	0.082	2	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NReHH)(CCHH)(COO)(H)	C(CCHH)(SReC)(H)2	C(CCHN)(CHHS)(H)2	C(NReHH)(CCHH)(COO)(H)	C(CCHH)(SReC)(H)2	115.7523	1.444	3	115.7523	2.085	3	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C(CCHN)(CHHS)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)(SRuC)(H)2	C(CCHN)(CHHS)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)(SRuC)(H)2	113.6745	0.913	2	113.6745	0.833	2	115.7806	4.116	16	113.9038	3.716	115	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:F-1:	C-4:C-3:N-3:H-1:	C(CCCF)(CCHN)(H)2	C(CCHH)(CCSS)(COO)(F)	C(CCHH)(COO)(NCC)(H)	C(CCCF)(CCHN)(H)2	C(CCHH)(CCSS)(COO)(F)	C(CCHH)(COO)(NCC)(H)	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	114.1350	8.645	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)2(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCHH)(COO)2(H)	C(CCCH)2(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCHH)(COO)2(H)	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	114.1350	8.645	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(COO)(H)	C(CCHH)(CNO)(NCC)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(COO)(H)	C(CCHH)(CNO)(NCC)(H)	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	114.1350	8.645	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(NCS)(H)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CCHH)(NCS)(H)	C(CCFH)(CCHH)(H)2	113.1830	0.000	1	113.1830	0.000	1	115.5440	12.136	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CH3)(NSS)(H)	C(CCFH)(CHHO)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CH3)(NSS)(H)	C(CCFH)(CHHO)(H)2	119.5450	0.000	1	119.5450	0.000	1	115.5440	12.136	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:F-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(NHH)(H)	C(CCFH)(CCHH)(H)2	C(CCHH)(CCHN)(F)(H)	C(CCFH)(CHHO)(NHH)(H)	C(CCFH)(CCHH)(H)2	113.9040	0.000	1	113.9040	0.000	1	115.5440	12.136	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCN)(H)	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCN)(H)	C(CCHH)2(H)2	117.4458	0.822	4	117.4458	0.675	4	116.7128	1.713	6	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCO)(H)	C(CCHH)2(H)2	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCO)(H)	C(CCHH)2(H)2	115.2470	0.304	2	115.2470	0.092	2	116.7128	1.713	6	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCC)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCC)(H)	C(CCHH)2(H)2	114.8815	0.556	2	114.8815	0.310	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCHH)2(H)2	113.8830	0.000	1	113.8830	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(COO)(H)	C(CCHH)2(H)2	119.1950	0.000	1	119.1950	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CCC)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CCC)(H)	C(CCHH)2(H)2	114.6395	2.692	2	114.6395	7.247	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(COO)(H)	C(CCHH)2(H)2	118.8360	1.069	2	118.8360	1.143	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCH)(H)	C(CCHH)(CH3)(H)2	113.9760	1.117	2	113.9760	1.248	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCO)(H)	C(CCHH)2(H)2	115.6280	0.000	1	115.6280	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)2(H)2	114.5030	0.805	2	114.5030	0.648	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(H)	C(CCHH)2(H)2	114.5648	0.580	4	114.5648	0.337	4	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(CCH)(H)	C(CCHH)2(H)2	114.3320	0.000	1	114.3320	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(COO)(H)	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CF3)(COO)(H)	C(CCHH)(CHHN)(H)2	112.3050	0.000	1	112.3050	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCC)(H)	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCC)(H)	C(CC[5]CH)(CCHH)(H)2	114.4615	0.135	2	114.4615	0.018	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)2(H)2	112.8285	1.460	2	112.8285	2.132	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)2(H)2	115.2506	0.645	5	115.2506	0.416	5	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[3]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[3]HH)(CCHH)(H)2	114.2487	1.499	3	114.2487	2.248	3	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCHH)(H)2	114.8850	0.000	1	114.8850	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCS)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CCS)(H)	C(CCHH)2(H)2	116.4145	0.282	2	116.4145	0.080	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(CNO)(H)	C(CCHH)2(H)2	117.3253	0.951	3	117.3253	0.904	3	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)(COO)(H)	C(CCHH)2(H)2	113.7720	0.000	1	113.7720	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CCHH)2(H)2	116.0290	0.635	2	116.0290	0.403	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CC[5a]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CC[5a]HH)(CCHH)(H)2	112.6380	0.000	1	112.6380	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CCHH)2(H)2	115.1550	0.000	1	115.1550	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(H)2	115.2515	0.381	2	115.2515	0.145	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHN)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHN)(H)	C(CCHH)2(H)2	112.9960	0.000	1	112.9960	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(COO)(H)	C(CCHH)2(H)2	134.2650	0.000	1	134.2650	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(CC[3,5]CH)(CCHH)(H)2	115.9657	0.829	3	115.9657	0.688	3	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(CC[5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(CC[5]CH)(CCHH)(H)2	114.8530	1.179	2	114.8530	1.391	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(CC[5]CO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(CC[5]CO)(CCHH)(H)2	113.9074	0.476	5	113.9074	0.226	5	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	113.0757	2.245	3	113.0757	5.041	3	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(CCHH)2(H)2	113.1970	0.000	1	113.1970	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	C(CCHH)2(H)2	114.1945	0.629	2	114.1945	0.395	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(CC[6a]CH)(CCHH)(H)2	114.3010	0.000	1	114.3010	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	C(CCCO)(CCHH)(H)2	114.8570	0.000	1	114.8570	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(CCO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(CCO)(H)	C(CCHH)2(H)2	116.0700	0.000	1	116.0700	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCCH)(CCHH)(H)2	113.5450	1.372	2	113.5450	1.882	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	114.8760	0.000	1	114.8760	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(CCHH)2(H)2	116.2155	0.107	2	116.2155	0.011	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CCHH)2(H)2	113.8890	0.517	5	113.8890	0.268	5	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(CCC)(H)	C(CIrCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CIrCH)(CCHH)(CCC)(H)	C(CIrCH)(CCHH)(H)2	114.2625	0.252	2	114.2625	0.064	2	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	113.2380	0.000	1	113.2380	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	C(CC[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	C(CC[5]HH)(CCHH)(H)2	113.9050	0.000	1	113.9050	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	C(CCHH)2(H)2	119.9910	0.000	1	119.9910	0.000	1	115.0576	7.416	80	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	113.6680	0.000	1	113.6680	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)2(H)2	117.0880	0.000	1	117.0880	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)2(H)2	114.9167	0.772	3	114.9167	0.596	3	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)2(H)2	112.5693	2.744	3	112.5693	7.528	3	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)2(H)2	116.2950	0.000	1	116.2950	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHO)(H)2	118.5460	0.000	1	118.5460	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)2(H)2	113.1033	3.443	8	113.1033	11.852	8	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)2(H)2	111.9670	0.000	1	111.9670	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)2(H)2	113.8113	1.138	3	113.8113	1.294	3	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	C(CCHH)2(H)2	113.6130	0.343	4	113.6130	0.118	4	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCuC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCuC)(H)	C(CCHH)2(H)2	114.9643	0.997	6	114.9643	0.994	6	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NFeC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NFeC)(H)	C(CCHH)2(H)2	113.5210	1.597	2	113.5210	2.549	2	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHP)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHP)(H)	C(CCHH)2(H)2	115.7220	1.179	2	115.7220	1.391	2	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)2(H)2	114.7980	0.000	1	114.7980	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	C(CN[5]HH)(CCHH)(H)2	116.3800	0.000	1	116.3800	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]CF)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	113.4135	1.131	2	113.4135	1.278	2	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(CCHH)2(H)2	116.2020	1.202	2	116.2020	1.445	2	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CH3)(H)2	113.9600	0.000	1	113.9600	0.000	1	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CClCH)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	113.9443	1.132	3	113.9443	1.282	3	114.2437	4.396	46	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C(CCHO)(CHHN)(H)2	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHH)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHH)(H)2	117.1660	0.000	1	117.1660	0.000	1	117.1660	0.000	1	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)2(H)2	115.5665	2.778	4	115.5665	7.716	4	115.8105	3.506	13	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)2(H)2	116.4610	1.796	2	116.4610	3.226	2	115.8105	3.506	13	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SZnC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SZnC)(H)	C(CCHH)(CH3)(H)2	116.3590	0.000	1	116.3590	0.000	1	115.8105	3.506	13	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CCHH)2(SCuC)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(SCuC)(H)	C(CCHH)(CH3)(H)2	115.6650	1.685	6	115.6650	2.838	6	115.8105	3.506	13	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)2(H)2	113.2760	0.000	1	113.2760	0.000	1	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CH3)(H)2	115.2077	0.426	3	115.2077	0.181	3	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CHHN)(H)2	112.1355	0.285	2	112.1355	0.081	2	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CH3)(H)2	114.9270	0.000	1	114.9270	0.000	1	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CHHN)(H)2	113.9475	2.234	2	113.9475	4.990	2	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)2(H)2	114.1390	0.292	3	114.1390	0.085	3	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CCHO)(H)2	113.6988	1.819	6	113.6988	3.310	6	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CH3)(H)2	114.7993	0.891	11	114.7993	0.794	11	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CHHN)(H)2	114.1601	1.816	34	114.1601	3.296	34	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)2(H)2	115.1483	1.535	21	115.1483	2.355	21	114.4399	2.634	84	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:N-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(NCCH)(H)2	C(CCHN)(CHHN)(H)2	C(CCHH)(NCCH)(CCH)(H)	C(CCHH)(NCCH)(H)2	113.8655	3.680	2	113.8655	13.546	2	113.8655	13.546	2	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HN)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CCHH)2(H)2	C(CC[3]HN)(CCHH)(H)2	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	C(CCHH)2(H)2	114.5237	0.579	3	114.5237	0.335	3	114.5237	0.335	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C(CCHH)2(H)2	113.9100	0.000	1	113.9100	0.000	1	113.4654	0.281	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	113.3935	0.931	2	113.3935	0.867	2	113.4654	0.281	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C(CCHH)(CH3)(H)2	113.3150	0.061	2	113.3150	0.004	2	113.4654	0.281	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CCHH)2(H)2	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CCHH)2(H)2	113.5905	0.349	2	113.5905	0.122	2	113.7602	0.082	4	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C(CCHH)(CH3)(H)2	113.9300	0.092	2	113.9300	0.008	2	113.7602	0.082	4	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	C(CCHH)2(H)2	114.5900	0.000	1	114.5900	0.000	1	114.9738	0.574	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CCO)(H)	C(CCHH)2(H)2	115.4303	0.525	3	115.4303	0.276	3	114.9738	0.574	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	C(CCHH)(CH3)(H)2	113.9880	0.000	1	113.9880	0.000	1	114.9738	0.574	5	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HN)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	C(CC[6]HN)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(NCuHH)(CCHH)(COO)(H)	C(CCHH)(CHHN)(H)2	114.6226	2.937	9	114.6226	8.626	9	114.3404	6.572	12	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(CCHH)2(H)2	113.6580	0.000	1	113.6580	0.000	1	114.3404	6.572	12	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NZnHH)(CCHH)(COO)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(NZnHH)(CCHH)(COO)(H)	C(CCHH)2(H)2	113.4120	0.608	2	113.4120	0.370	2	114.3404	6.572	12	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(NRuHH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NRuHH)(CCHH)(COO)(H)	C(NRuHH)(CCHH)(H)2	113.8120	0.000	1	113.8120	0.000	1	113.8120	0.000	1	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(PC[6]2Au)(CCHH)(CHH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(PC[6]2Au)(CCHH)(CHH)(H)	C(CCHH)2(H)2	114.5820	0.000	1	114.5820	0.000	1	114.5820	0.000	1	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)(CH3)(H)2	112.6850	0.000	1	112.6850	0.000	1	112.8620	4.709	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CCN)(H)	C(CCHH)2(H)2	115.1150	0.000	1	115.1150	0.000	1	112.8620	4.709	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHS)(H)2	C(SN[6]OO)(CCHH)(CCH)(H)	C(CCHH)2(H)2	110.7860	0.000	1	110.7860	0.000	1	112.8620	4.709	3	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(CNO)(H)	C(SC[6a]OO)(CCHH)(H)2	C(CCHS)(CHHS)(H)2	C(SC[6a]OO)(CCHH)(CNO)(H)	C(SC[6a]OO)(CCHH)(H)2	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CSiHN)(CCHH)(H)2	C(SiCCO)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	C(CSiHN)(CCHH)(H)2	C(SiCCO)(CCHH)(NCH)(H)	C(CCHH)(CH3)(H)2	114.2510	1.079	2	114.2510	1.164	2	114.2510	1.164	2	114.6659	4.768	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(CCHO)(OC)(H)	116.0370	0.000	1	116.0370	0.000	1	116.2844	1.288	11	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCI)(H)	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CH3)(CCI)(H)	C(CCHH)2(OC)(H)	115.2875	0.540	4	115.2875	0.291	4	116.2844	1.288	11	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(OC)(H)	116.4590	0.596	4	116.4590	0.355	4	116.2844	1.288	11	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	C(CCHH)2(OH)(H)	117.5380	0.000	1	117.5380	0.000	1	116.2844	1.288	11	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	C(CCHH)(CCHO)(OC)(H)	118.5670	0.000	1	118.5670	0.000	1	116.2844	1.288	11	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	114.3100	1.434	2	114.3100	2.056	2	114.3100	2.056	2	115.9806	1.794	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	C(CCHH)2(CNO)(H)	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	C(CCHH)2(CNO)(H)	116.1275	0.206	2	116.1275	0.042	2	114.8167	5.176	3	115.2396	3.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	C(CCHH)2(CCC)(H)	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	C(CCHH)2(CCC)(H)	112.1950	0.000	1	112.1950	0.000	1	114.8167	5.176	3	115.2396	3.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CH3)(COO)(H)	116.5920	0.000	1	116.5920	0.000	1	115.8740	1.031	2	115.2396	3.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	C(CCHH)(CH3)(COO)(H)	115.1560	0.000	1	115.1560	0.000	1	115.8740	1.031	2	115.2396	3.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	C(CClCH)(CH3)(NHS)(H)	C(CClCH)(CH3)2(H)	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CCHH)(CH3)(CCH)(H)	C(CCHH)2(CH3)(H)	113.9855	0.161	2	113.9855	0.026	2	114.3310	0.371	3	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CCHH)(CH3)(CCO)(H)	C(CCHH)2(CH3)(H)	115.0220	0.000	1	115.0220	0.000	1	114.3310	0.371	3	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CC3)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CC3)(NCH)(H)	C(CCHH)(CH3)2(H)	115.2095	0.127	2	115.2095	0.016	2	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CH3)2(H)	115.0500	0.000	1	115.0500	0.000	1	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CH3)2(H)	116.5750	0.000	1	116.5750	0.000	1	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CH3)2(H)	115.6350	0.963	2	115.6350	0.928	2	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NCH)(H)	C(CCHH)(CH3)2(H)	115.7482	1.142	12	115.7482	1.304	12	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	C(CCHH)(CH3)2(H)	115.6310	0.038	2	115.6310	0.001	2	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHH)(CH3)2(H)	115.1585	1.269	8	115.1585	1.610	8	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CH3)2(H)	116.0290	1.537	2	116.0290	2.363	2	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.7733	0.932	3	114.7733	0.868	3	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CCHH)(CH3)2(H)	115.6430	0.000	1	115.6430	0.000	1	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CN[5]CH)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.8275	0.462	2	114.8275	0.213	2	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NHS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NHS)(H)	C(CCHH)(CH3)2(H)	115.1510	0.000	1	115.1510	0.000	1	115.4500	1.035	37	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCHH)(CH3)2(H)	114.9850	0.000	1	114.9850	0.000	1	115.7703	0.785	76	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NCHH)(COO)(H)	C(CCHH)(CH3)2(H)	116.1740	0.410	2	116.1740	0.168	2	115.7703	0.785	76	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(CNO)(H)	C(CCHH)(CH3)2(H)	115.1501	1.137	18	115.1501	1.294	18	115.7703	0.785	76	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(NH3)(COO)(H)	C(CCHH)(CH3)2(H)	115.9728	0.701	55	115.9728	0.492	55	115.7703	0.785	76	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHNP)(H)2	C(CCHH)(PCOO)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	C(CCHH)(PCOO)(NCH)(H)	C(CCHH)(CH3)2(H)	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HN)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C(CCHH)(CH3)2(H)	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NCoCC)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NCoCC)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	113.3760	0.000	1	113.3760	0.000	1	115.5776	1.741	18	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NCoHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.3732	1.276	5	115.3732	1.627	5	115.5776	1.741	18	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NNiCH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.1893	1.311	3	115.1893	1.718	3	115.5776	1.741	18	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NNiHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NNiHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	115.1037	0.409	3	115.1037	0.167	3	115.5776	1.741	18	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NPtHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NPtHH)(CCHH)(COO)(H)	C(CCHH)(CH3)2(H)	116.5458	1.225	6	116.5458	1.501	6	115.5776	1.741	18	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHNP)(H)2	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCHH)(CH3)2(H)	113.9630	0.000	1	113.9630	0.000	1	113.9630	0.000	1	115.5969	1.027	138	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CH3)2(NCH)	117.8365	1.483	2	117.8365	2.199	2	117.2728	1.165	6	117.2728	1.165	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CH3)2(NCC)	118.2550	0.000	1	118.2550	0.000	1	117.2728	1.165	6	117.2728	1.165	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NHN)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NHN)(H)	C(CCHH)(CH3)2(NCH)	116.5697	0.520	3	116.5697	0.271	3	117.2728	1.165	6	117.2728	1.165	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(NCHH)(CH3)2	117.7943	0.983	14	117.7943	0.967	14	117.7943	0.967	14	117.7943	0.967	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	3:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(Br)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CCCO)(Br)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CBrCH)(H)2	113.7170	0.000	1	113.7170	0.000	1	113.7170	0.000	1	115.2427	2.826	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	3:4:1:1:	C-4:C-4:Br-1:H-1:	C[5]-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CBrCH)(H)2	C(CC[6a]HH)(CC[5]CO)(Br)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CBrCH)(H)2	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	115.2427	2.826	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CCH)(OH)	C(C[5]C[5]2)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CCH)(OH)	C(C[5]C[5]2)(CCHH)(H)2	117.0450	0.000	1	117.0450	0.000	1	117.0450	0.000	1	115.2427	2.826	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(CH3)(COO)(OH)	C(CClCH)(H)3	C(CCCO)(CH3)(Cl)(H)	C(CClCH)(CH3)(COO)(OH)	C(CClCH)(H)3	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)2(CCC)(OH)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)2(CCC)(OH)	C(CCHH)(H)3	115.0050	0.000	1	115.0050	0.000	1	114.9717	0.060	3	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(CCHH)(H)3	115.1980	0.000	1	115.1980	0.000	1	114.9717	0.060	3	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(CCHH)(H)3	114.7120	0.000	1	114.7120	0.000	1	114.9717	0.060	3	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:S-2:	C-4:F-1:F-1:F-1:	C(CCCS)(CF3)(H)2	C(CCHH)(CH3)(CNO)(SC)	C(CCHH)(F)3	C(CCCS)(CF3)(H)2	C(CCHH)(CH3)(CNO)(SC)	C(CCHH)(F)3	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	C(CCHH)(H)3	114.2870	0.000	1	114.2870	0.000	1	114.2870	0.000	1	115.1367	2.093	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-2:	C-4:C-2:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CCH)(CN)	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CCH)(CN)	C(CCHH)(CN)(H)2	112.7660	0.233	2	112.7660	0.054	2	112.7660	0.054	2	112.7660	0.054	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)(CCH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)(CCH)(H)2	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CBrCH)(CH3)(H)2	C(CCCO)(CCHH)(Br)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CBrCH)(CH3)(H)2	114.2850	0.000	1	114.2850	0.000	1	114.2850	0.000	1	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCHH)(H)2	114.1250	0.000	1	114.1250	0.000	1	114.7150	2.847	3	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)(CCHO)(H)2	116.6180	0.000	1	116.6180	0.000	1	114.7150	2.847	3	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(COO)(OH)	C(CCHH)2(H)2	113.4020	0.000	1	113.4020	0.000	1	114.7150	2.847	3	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	C(CCHH)2(H)2	114.8230	0.000	1	114.8230	0.000	1	115.2295	0.330	2	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(NCH)(CN)	C(CCHH)(CH3)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)(NCH)(CN)	C(CCHH)(CH3)(H)2	115.6360	0.000	1	115.6360	0.000	1	115.2295	0.330	2	114.8148	1.336	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCO)(H)2	C(CCHH)(CF3)(CNO)(OC)	C(CCHH)3(H)	C(CCCH)(CCCO)(H)2	C(CCHH)(CF3)(CNO)(OC)	C(CCHH)3(H)	116.6140	0.000	1	116.6140	0.000	1	116.9013	0.652	3	117.4305	1.555	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCHH)(CH3)(CCH)(OH)	C(CCHH)2(CH3)(H)	117.0450	1.086	2	117.0450	1.180	2	116.9013	0.652	3	117.4305	1.555	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)(NCH)(CN)	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	C(CCHH)(CH3)(NCH)(CN)	C(CCHH)(CH3)2(H)	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	117.4305	1.555	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	3:3:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:C-3:	C[6a]-3:C-3:C-4:H-1:	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	C(CC[6a]CH)(CC[5]CC)(H)2	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC[5]C)(CCHH)(H)	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CCO)(COO)	C(CC[5,6]O)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CCO)(COO)	C(CC[5,6]O)(CCHH)(H)2	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	115.4530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CC[6a]CH)(CC[6]CC)(H)2	C(C[6]C[6]2H)(CCHH)(COO)2	C(C[6a]C[6a]2)(CCHH)2(H)	119.3035	0.735	2	119.3035	0.540	2	119.3035	0.540	2	119.3035	0.540	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CCO)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CCO)2	C(CCHH)(H)3	115.5900	0.000	1	115.5900	0.000	1	114.3232	0.577	5	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CNO)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CNO)2	C(CCHH)(H)3	113.8980	0.420	2	113.8980	0.176	2	114.3232	0.577	5	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(COO)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(COO)2	C(CCHH)(H)3	114.1150	0.279	2	114.1150	0.078	2	114.3232	0.577	5	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)2(CNO)(NCH)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)2(CNO)(NCH)	C(CCHH)(H)3	114.4270	0.711	8	114.4270	0.505	8	114.1881	0.568	16	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)2(COO)(NCH)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)2(COO)(NCH)	C(CCHH)(H)3	113.9390	0.253	2	113.9390	0.064	2	114.1881	0.568	16	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)2(CPtC)(NCH)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)2(CPtC)(NCH)	C(CCHH)(H)3	114.1795	1.017	4	114.1795	1.034	4	114.1881	0.568	16	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	C(CCHH)(H)3	113.4985	0.531	2	113.4985	0.282	2	114.1881	0.568	16	114.2202	0.545	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHS)(CCH)(COO)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CHHS)(CCH)(COO)	C(CCHH)(CCH)(H)2	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	115.1357	1.961	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(CCHH)(COO)(H)2	C(CCCN)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(CCHH)(COO)(H)2	114.6420	1.568	2	114.6420	2.460	2	114.6420	2.460	2	115.1357	1.961	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CNO)(COO)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)(CNO)(COO)	C(CCHH)2(H)2	119.2690	0.000	1	119.2690	0.000	1	115.9956	3.718	8	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(COO)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(COO)2	C(CCHH)2(H)2	114.9977	0.717	3	114.9977	0.514	3	115.9956	3.718	8	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	C(CCHH)2(H)2	117.2730	1.887	2	117.2730	3.559	2	115.9956	3.718	8	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	C(CCHH)(CHOO)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	C(CCHH)(CHOO)(H)2	114.1020	0.000	1	114.1020	0.000	1	115.9956	3.718	8	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	C(CC[6a]HO)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	C(CC[6a]HO)(CCHH)(H)2	115.0550	0.000	1	115.0550	0.000	1	115.9956	3.718	8	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(NCH)	C(CCHH)(CHHN)(H)2	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(NCH)	C(CCHH)(CHHN)(H)2	116.7790	0.000	1	116.7790	0.000	1	115.5545	0.806	6	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)2(CCH)(NHS)	C(CCHH)2(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)2(CCH)(NHS)	C(CCHH)2(H)2	116.3700	0.000	1	116.3700	0.000	1	115.5545	0.806	6	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)2(COO)(NCH)	C(CSiHH)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)2(COO)(NCH)	C(CSiHH)(CCHH)(H)2	115.0445	0.525	4	115.0445	0.276	4	115.5545	0.806	6	115.8066	2.363	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	O-2:C-4:H-1:H-1:	C(CClCC)(CHHO)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(OC[4])(CCHH)(H)2	C(CClCC)(CHHO)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(OC[4])(CCHH)(H)2	114.8700	0.061	2	114.8700	0.004	2	114.8700	0.004	2	114.2459	5.158	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(OC[6a])(CCHH)(H)2	111.1560	0.000	1	111.1560	0.000	1	115.0027	11.098	3	114.2459	5.158	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(OC[6a])(CCHH)(H)2	C(CCCH)(CHHO)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(OC[6a])(CCHH)(H)2	116.9260	0.034	2	116.9260	0.001	2	115.0027	11.098	3	114.2459	5.158	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	S-2:C-4:H-1:H-1:	C(CCCH)(CHHS)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(SC[6])(CCHH)(H)2	C(CCCH)(CHHS)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(SC[6])(CCHH)(H)2	112.4865	0.247	2	112.4865	0.061	2	112.4865	0.061	2	114.2459	5.158	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CClCC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CClCC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(C[6a]C[6a]2)(CCHH)(H)2	114.9195	0.370	2	114.9195	0.137	2	114.9195	0.137	2	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CC[5]O)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CC[5]O)(CCHH)(H)2	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)(H)2	114.2760	0.194	2	114.2760	0.038	2	114.2760	0.038	2	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(N[6]C[6]2)(CCHH)(H)2	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[6]C)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[6]C)(CCHH)(H)2	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)2(H)	C(NC[6]H)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)2(H)	C(NC[6]H)(CCHH)(H)2	116.5550	0.000	1	116.5550	0.000	1	115.6700	1.566	2	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(NC[6]C)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(NC[6]C)(CCHH)(H)2	114.7850	0.000	1	114.7850	0.000	1	115.6700	1.566	2	114.9624	0.515	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	3:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C-4:O-2:H-1:	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCHH)(OH)(H)	C(CC[5]CH)(CC[5]HO)(H)2	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCHH)(OH)(H)	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:Cl-1:H-1:H-1:	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	C(CBrCH)(Cl)(H)2	C(CClCC)(CClHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	C(CBrCH)(Cl)(H)2	113.2240	0.000	1	113.2240	0.000	1	113.2240	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:Br-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C(CC[5]CH)(CBrHH)(Br)(H)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CBrCH)(Br)(H)2	C(CC[5]CH)(CBrHH)(Br)(H)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CBrCH)(Br)(H)2	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C(CCCF)(CF3)(F)2	C(CCFF)(CCHH)(CF3)(F)	C(CCFF)(F)3	C(CCCF)(CF3)(F)2	C(CCFF)(CCHH)(CF3)(F)	C(CCFF)(F)3	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CCFF)(F)3	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CCFF)(F)3	115.8265	0.848	2	115.8265	0.719	2	115.8265	0.719	2	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCHN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCHN)(H)	C(CCHH)(H)3	116.4230	0.000	1	116.4230	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4680	0.932	2	114.4680	0.869	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)(H)3	111.2879	4.184	12	111.2879	17.504	12	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.7590	0.380	2	112.7590	0.145	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)2(H)	C(CCHH)(H)3	112.6960	0.000	1	112.6960	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCCO)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCCO)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.1840	0.434	2	113.1840	0.188	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)(H)3	115.5640	0.000	1	115.5640	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(H)3	114.0655	1.082	123	114.0655	1.171	123	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CHHO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CHHO)(H)	C(CCHH)(H)3	112.8530	0.361	2	112.8530	0.130	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(H)3	115.2230	1.109	7	115.2230	1.229	7	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)(H)3	111.9475	5.711	6	111.9475	32.616	6	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(H)3	116.5544	4.738	5	116.5544	22.450	5	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)(H)3	114.3840	0.000	1	114.3840	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)(H)3	114.2845	0.678	11	114.2845	0.459	11	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHS)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHS)(H)	C(CCHH)(H)3	115.7510	0.000	1	115.7510	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.5400	0.000	1	113.5400	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	C(CCHH)(H)3	116.5850	0.369	2	116.5850	0.136	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCHH)(H)3	115.5910	0.000	1	115.5910	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4650	1.068	6	114.4650	1.141	6	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.8170	0.782	4	114.8170	0.612	4	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	C(CCHH)(H)3	114.5715	0.135	2	114.5715	0.018	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	C(CCHH)(H)3	113.8850	0.000	1	113.8850	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCHH)(H)3	113.9398	0.394	4	113.9398	0.155	4	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CCHH)(H)3	115.6840	0.000	1	115.6840	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.8290	1.153	3	113.8290	1.329	3	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCHH)(H)3	113.9555	2.186	2	113.9555	4.777	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4200	1.229	6	114.4200	1.510	6	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCHH)(H)3	116.2813	2.842	7	116.2813	8.078	7	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.1055	0.153	4	114.1055	0.023	4	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(CCHH)(H)3	114.2930	0.000	1	114.2930	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	C(CCHH)(H)3	114.4600	0.280	2	114.4600	0.078	2	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	C(CCHH)(H)3	114.7260	0.000	1	114.7260	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	C(CCHH)(H)3	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	C(CCHH)(H)3	114.7600	0.000	1	114.7600	0.000	1	114.1011	4.056	226	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(O)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(O)	C(CCHH)(H)3	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CCHH)(Cl)(H)2	C(CClHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(CCHH)(Cl)(H)2	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(H)3	115.2177	2.695	4	115.2177	7.261	4	113.6165	3.859	14	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHH)(H)3	113.1126	1.480	7	113.1126	2.190	7	113.6165	3.859	14	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(CHHO)(NH3)(H)	C(CCHH)(H)3	112.5285	0.589	2	112.5285	0.347	2	113.6165	3.859	14	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)2(NH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)2(NH3)(H)	C(CCHH)(H)3	112.9150	0.000	1	112.9150	0.000	1	113.6165	3.859	14	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(H)3	112.9255	1.163	2	112.9255	1.353	2	112.9255	1.353	2	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)(H)2	C(CCHH)(NCHH)(PO3)(H)	C(CCHH)(H)3	C(CHNP)(CH3)(H)2	C(CCHH)(NCHH)(PO3)(H)	C(CCHH)(H)3	116.4330	0.000	1	116.4330	0.000	1	114.3137	3.405	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)(H)2	C(CCHH)(NH3)(PO3)(H)	C(CCHH)(H)3	C(CHNP)(CH3)(H)2	C(CCHH)(NH3)(PO3)(H)	C(CCHH)(H)3	113.2540	0.270	2	113.2540	0.073	2	114.3137	3.405	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[3]CH)(CH3)(H)2	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	115.0280	1.084	3	115.0280	1.176	3	115.0280	1.176	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]CH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(CCHH)(H)3	C(CC[4]CH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(CCHH)(H)3	114.9110	0.000	1	114.9110	0.000	1	114.1130	1.274	2	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]CH)(CH3)(H)2	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[4]CH)(CH3)(H)2	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.3150	0.000	1	113.3150	0.000	1	114.1130	1.274	2	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]CH)(CH3)(H)2	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[5,5]CH)(CH3)(H)2	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CCHH)(H)3	113.9455	0.827	8	113.9455	0.685	8	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CCHH)(H)3	114.1420	0.254	8	114.1420	0.064	8	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(CCHH)(H)3	108.4840	0.000	1	108.4840	0.000	1	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.1695	0.411	2	114.1695	0.169	2	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CCHH)(H)3	112.3010	0.000	1	112.3010	0.000	1	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.4093	1.196	6	114.4093	1.431	6	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.4420	0.000	1	113.4420	0.000	1	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(H)2	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CCHH)(H)3	C(CC[5]CH)(CH3)(H)2	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CCHH)(H)3	114.6335	1.597	2	114.6335	2.552	2	113.8962	1.803	29	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CC[6]ClC)(CCl3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CCHH)(Cl)3	C(CC[6]ClC)(CCl3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CCHH)(Cl)3	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.8537	3.514	3	113.8537	12.350	3	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.5300	0.184	2	112.5300	0.034	2	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CCHH)(H)3	114.0500	0.000	1	114.0500	0.000	1	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.9605	0.877	8	113.9605	0.770	8	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CCHH)(H)3	112.9480	0.000	1	112.9480	0.000	1	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)(H)3	114.0966	0.469	5	114.0966	0.220	5	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CCHH)(H)3	113.2300	0.000	1	113.2300	0.000	1	113.7627	1.798	21	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:I-1:	C(CC[6]CH)(CHHI)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CCHH)(H)2(I)	C(CC[6]CH)(CHHI)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CCHH)(H)2(I)	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C[3]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]C[6]H)(CH3)(H)2	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C(CCHH)(H)3	C(CC[3]C[6]H)(CH3)(H)2	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	C(CCHH)(H)3	112.7840	0.000	1	112.7840	0.000	1	112.7840	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6]CuH)(CCHH)2(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6]CuH)(CCHH)2(H)	C(CCHH)(H)3	113.5190	0.000	1	113.5190	0.000	1	114.7180	3.252	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHH)(H)3	C(CCHN)(CH3)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHH)(H)3	115.3175	2.085	2	115.3175	4.348	2	114.7180	3.252	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHP)(CH3)(H)2	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHP)(CH3)(H)2	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.4175	0.541	2	112.4175	0.293	2	112.3943	0.148	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHP)(CH3)(H)2	C(PSeOO)(CCHH)(CH3)(H)	C(CCHH)(H)3	C(CCHP)(CH3)(H)2	C(PSeOO)(CCHH)(CH3)(H)	C(CCHH)(H)3	112.3480	0.000	1	112.3480	0.000	1	112.3943	0.148	3	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHH)(H)3	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CCHH)(H)3	116.2180	0.000	1	116.2180	0.000	1	116.2180	0.000	1	114.0881	3.842	318	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:O-2:H-1:H-1:	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(CH3)(Br)	C(CClCH)(OC)(H)2	C(CBrCC)(CHHO)(Cl)(H)	C(CClCH)(CCHH)(CH3)(Br)	C(CClCH)(OC)(H)2	116.4980	0.000	1	116.4980	0.000	1	116.4980	0.000	1	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCF)(CCHH)2(H)	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CCCF)(CCHH)2(H)	C(CCHH)(CC)(H)2	114.9750	0.000	1	114.9750	0.000	1	114.9750	0.000	1	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:Ge-2:H-1:H-1:	C(CGeHH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(GeN)(H)2	C(CGeHH)(CCCH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(GeN)(H)2	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(OC)(H)2	113.8315	0.012	2	113.8315	0.000	2	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(OC)(H)2	117.3853	2.164	3	117.3853	4.682	3	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(OH)(H)2	116.3720	0.803	3	116.3720	0.644	3	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(OH)(H)2	115.1550	0.000	1	115.1550	0.000	1	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCHH)(OC)(H)2	C(CCCH)(CHHO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCHH)(OC)(H)2	112.7060	0.000	1	112.7060	0.000	1	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	C(CCCH)(CHHO)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	113.3410	0.000	1	113.3410	0.000	1	115.4670	4.174	11	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C(CCCH)(CHHS)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(SC)(H)2	C(CCCH)(CHHS)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(SC)(H)2	114.3685	1.030	2	114.3685	1.061	2	114.3685	1.061	2	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	113.1510	0.000	1	113.1510	0.000	1	114.2853	0.977	3	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	C(CC[5]CH)(CHHO)(H)2	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CCHH)(OH)(H)2	114.8525	0.155	2	114.8525	0.024	2	114.2853	0.977	3	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(CCHH)(OH)(H)2	112.5730	0.000	1	112.5730	0.000	1	112.5605	0.000	2	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHH)(OH)(H)2	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHH)(OH)(H)2	112.5480	0.000	1	112.5480	0.000	1	112.5605	0.000	2	114.9669	3.229	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:C-3:H-1:H-1:	C(CClCC)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(CCHH)(CCH)(H)2	C(CClCC)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(CCHH)(CCH)(H)2	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)(CCC)(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)(CCC)(H)2	116.0338	1.152	5	116.0338	1.328	5	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCH)(H)2	116.9785	1.568	6	116.9785	2.458	6	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCO)(H)2	117.0515	2.571	4	117.0515	6.611	4	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(CNO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(CNO)(H)2	114.5327	0.398	13	114.5327	0.158	13	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(COO)(H)2	115.4290	0.000	1	115.4290	0.000	1	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CF3)(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CF3)(H)	C(CCHH)(COO)(H)2	112.0180	0.000	1	112.0180	0.000	1	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCHH)(COO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCHH)(COO)(H)2	115.6490	0.000	1	115.6490	0.000	1	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)(CCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)(CCH)(H)2	116.7120	0.000	1	116.7120	0.000	1	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCoCH)(CCHH)2(H)	C(CCHH)(CCO)(H)2	C(CCCH)(CCHH)(H)2	C(CCoCH)(CCHH)2(H)	C(CCHH)(CCO)(H)2	112.3250	0.000	1	112.3250	0.000	1	115.4941	3.105	33	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCC)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCC)(H)2	114.4980	1.752	4	114.4980	3.069	4	114.3290	1.921	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCH)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCH)(H)2	113.9910	0.242	2	113.9910	0.058	2	114.3290	1.921	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CNO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(CNO)(H)2	114.1865	0.459	2	114.1865	0.211	2	114.2510	0.118	3	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(COO)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(CCHH)(COO)(H)2	114.3800	0.000	1	114.3800	0.000	1	114.2510	0.118	3	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCC)(H)2	C(CCHN)(CHHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCC)(H)2	114.7640	0.000	1	114.7640	0.000	1	114.7640	0.000	1	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	C(CCHH)(CCO)(H)2	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	C(CCHH)(CCO)(H)2	112.1295	0.094	2	112.1295	0.009	2	112.1295	0.009	2	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CCHH)(CCC)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CCHH)(CCC)(H)2	119.3360	0.000	1	119.3360	0.000	1	117.6180	5.903	2	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[3x5,6]CH)(CCHH)(H)2	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	115.9000	0.000	1	115.9000	0.000	1	117.6180	5.903	2	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCC)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCC)(H)2	115.3115	2.099	2	115.3115	4.407	2	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	115.5008	0.833	13	115.5008	0.694	13	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCO)(H)2	113.7738	1.019	4	113.7738	1.038	4	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CNO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CNO)(H)2	114.5440	1.442	27	114.5440	2.079	27	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(COO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(COO)(H)2	114.5304	1.332	109	114.5304	1.774	109	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	115.2353	0.787	3	115.2353	0.620	3	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CCHH)(CCO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CCHH)(CCO)(H)2	116.2960	0.000	1	116.2960	0.000	1	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	114.0110	0.000	1	114.0110	0.000	1	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)(CCH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)(CCH)(H)2	117.8865	0.146	2	117.8865	0.021	2	114.6637	1.882	162	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6,6]CH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6,6]CH)(CCHH)(H)2	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	114.2860	0.000	1	114.2860	0.000	1	114.2860	0.000	1	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	114.3690	0.000	1	114.3690	0.000	1	113.9070	4.157	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	116.8090	0.000	1	116.8090	0.000	1	113.9070	4.157	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	114.5790	0.000	1	114.5790	0.000	1	113.9070	4.157	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(H)2	111.8935	1.894	2	111.8935	3.589	2	113.9070	4.157	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(COO)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(COO)(H)2	113.8980	0.000	1	113.8980	0.000	1	113.9070	4.157	6	114.7765	2.373	217	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCH)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCH)(OC)(H)	114.1535	0.624	2	114.1535	0.390	2	114.1535	0.390	2	114.6754	3.239	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCC)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCC)(OH)(H)	114.6350	0.000	1	114.6350	0.000	1	115.2848	5.115	5	114.6754	3.239	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	114.9430	2.905	3	114.9430	8.440	3	115.2848	5.115	5	114.6754	3.239	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[5]CH)(CCHO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	116.9600	0.000	1	116.9600	0.000	1	115.2848	5.115	5	114.6754	3.239	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[6]CH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCH)(OH)(H)	113.6740	0.810	2	113.6740	0.657	2	113.6740	0.657	2	114.6754	3.239	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CCl3)(CH3)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCl3)(CH3)(H)	C(CCHH)(COO)(NCH)(H)	114.3510	0.000	1	114.3510	0.000	1	114.2245	0.032	2	114.6120	0.466	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CF3)(CH3)(H)	C(CCHH)(COO)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CF3)(CH3)(H)	C(CCHH)(COO)(NCH)(H)	114.0980	0.000	1	114.0980	0.000	1	114.2245	0.032	2	114.6120	0.466	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:N-3:H-1:	C(CCCH)(CHNN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCH)2(H)	C(CCCH)(CHNN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NCH)2(H)	115.3870	0.000	1	115.3870	0.000	1	115.3870	0.000	1	114.6120	0.466	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:N-3:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	C(CCHH)(NNiC)(CH3)2	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	C(CCHH)(NNiC)(CH3)2	119.6050	0.000	1	119.6050	0.000	1	120.0100	0.328	2	119.5873	0.700	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:N-3:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NRuCH)(CCHH)(CH3)(H)	C(CCHH)(NRuC)(CH3)2	C(CCCN)(CCHN)(H)2	C(NRuCH)(CCHH)(CH3)(H)	C(CCHH)(NRuC)(CH3)2	120.4150	0.000	1	120.4150	0.000	1	120.0100	0.328	2	119.5873	0.700	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:3:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:O-3:C-4:C-4:	C(CCCO)(CCHN)(H)2	C(NZnCC)(CCHH)(CH3)(H)	C(CCHH)(OZn2)(CH3)2	C(CCCO)(CCHN)(H)2	C(NZnCC)(CCHH)(CH3)(H)	C(CCHH)(OZn2)(CH3)2	118.7420	0.000	1	118.7420	0.000	1	118.7420	0.000	1	119.5873	0.700	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:Br-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(Br)(H)	C(CBrCH)(CHHO)(CH3)(Cl)	C(CBrCH)(CCHH)(H)2	116.3470	1.164	2	116.3470	1.355	2	116.3470	1.355	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:C-4:H-1:H-1:	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(CH3)(Br)	C(CClCH)2(H)2	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(CH3)(Br)	C(CClCH)2(H)2	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Br-1:	C-4:C-4:H-1:H-1:	C(CBrCC)(CCHH)(H)2	C(CClCH)(CCHH)(CH3)(Br)	C(CCHH)(CHOO)(H)2	C(CBrCC)(CCHH)(H)2	C(CClCH)(CCHH)(CH3)(Br)	C(CCHH)(CHOO)(H)2	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C(CClCC)(CCHH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CBrCH)(CCHH)(H)2	C(CClCC)(CCHH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CBrCH)(CCHH)(H)2	115.3970	0.000	1	115.3970	0.000	1	115.9140	0.225	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C(CClCC)(CCHH)(H)2	C(CCHH)(CH3)2(Cl)	C(CCHH)2(H)2	C(CClCC)(CCHH)(H)2	C(CCHH)(CH3)2(Cl)	C(CCHH)2(H)2	116.1725	0.221	2	116.1725	0.049	2	115.9140	0.225	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	C(CCHH)2(H)2	118.2305	0.946	6	118.2305	0.894	6	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	C(CCHH)2(H)2	115.0280	0.000	1	115.0280	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	116.8130	0.000	2	116.8130	0.000	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCHH)2(H)2	118.1585	0.146	2	118.1585	0.021	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)2(H)2	115.2000	0.000	1	115.2000	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)2(H)2	115.3770	0.000	1	115.3770	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	118.1990	1.631	3	118.1990	2.661	3	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	116.0564	1.856	5	116.0564	3.444	5	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(H)2	114.3317	2.241	6	114.3317	5.022	6	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[3]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[3]HH)(CCHH)(H)2	114.7255	0.912	6	114.7255	0.832	6	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCHH)2(H)2	116.7735	1.034	2	116.7735	1.070	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(H)2	115.4007	1.183	100	115.4007	1.400	100	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(CCHH)(CHHN)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(CCHH)(CHHN)(H)2	119.3590	6.132	4	119.3590	37.596	4	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCFF)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCFF)(CCHH)(H)2	115.6790	2.708	2	115.6790	7.334	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)2(H)2	115.4513	0.908	6	115.4513	0.824	6	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	C(CCHH)2(H)2	114.3880	0.004	2	114.3880	0.000	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)2(H)2	113.5553	0.815	4	113.5553	0.663	4	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)2(H)2	123.1540	0.000	1	123.1540	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(CCHH)2(H)2	117.3340	0.000	1	117.3340	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHS)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHS)(H)	C(CCHH)2(H)2	114.5600	0.000	1	114.5600	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	117.6887	0.570	4	117.6887	0.325	4	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCHH)2(H)2	112.7760	0.000	1	112.7760	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	C(CN[5]HH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	C(CN[5]HH)(CCHH)(H)2	115.6140	0.000	1	115.6140	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)2(H)	C(CCHH)2(H)2	116.0720	1.775	2	116.0720	3.150	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[5]HH)2(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)2(CCHH)(H)	C(CCHH)2(H)2	116.4720	0.359	2	116.4720	0.129	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6]CH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6]CH)(CCHH)2(H)	C(CCHH)2(H)2	116.3060	0.000	1	116.3060	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCHH)2(H)2	122.1375	5.765	2	122.1375	33.236	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	115.4200	0.000	1	115.4200	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)2(H)	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)2(H)	C(CCHH)(CHHO)(H)2	113.7660	0.000	1	113.7660	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)2(H)2	115.4442	0.300	4	115.4442	0.090	4	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCHH)(CHHO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCHH)(CHHO)(H)2	114.3785	0.810	2	114.3785	0.656	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCHH)2(H)2	114.5200	0.000	1	114.5200	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCHH)2(H)2	118.7705	0.121	2	118.7705	0.015	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCHH)2(H)2	118.4900	0.000	1	118.4900	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	119.1000	0.000	1	119.1000	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	C(CCHH)2(H)2	115.2315	0.547	2	115.2315	0.299	2	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCHH)2(H)2	115.4590	0.438	3	115.4590	0.192	3	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(CCHH)2(H)2	C(CCCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(CCHH)2(H)2	119.2480	0.000	1	119.2480	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(CCHP)(H)	C(CPtCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(CCHP)(H)	C(CPtCH)(CCHH)(H)2	112.5280	0.000	1	112.5280	0.000	1	115.8207	4.103	189	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NH3)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)(NH3)(H)2	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)2(H)2	113.7780	1.110	2	113.7780	1.232	2	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CF3)(NH3)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CF3)(NH3)(H)	C(CCHH)2(H)2	115.0190	0.000	1	115.0190	0.000	1	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CH3)(H)2	116.0060	0.000	1	116.0060	0.000	1	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CH3)(NH3)(H)	C(CCHH)2(H)2	115.7610	0.000	1	115.7610	0.000	1	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CHHN)(H)2	113.6238	1.118	4	113.6238	1.250	4	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCCH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCCH)(H)	C(CCHH)2(H)2	114.0350	0.000	1	114.0350	0.000	1	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCHH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCHH)(H)	C(CCHH)2(H)2	113.3918	1.115	4	113.3918	1.244	4	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CCHH)2(NH3)(H)	C(CCHH)2(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NH3)(H)	C(CCHH)2(H)2	116.8631	3.112	97	116.8631	9.687	97	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CH3)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(CH3)(H)2	114.6540	0.000	1	114.6540	0.000	1	116.4894	9.463	112	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(PCCN)(H)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	C(CPtCH)(CCHH)(PCCN)(H)	C(CPtCH)(CCHH)(H)2	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C(CSiHP)(CCHH)(H)2	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	C(CSiHP)(CCHH)(H)2	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CC[6a]2H)(CCHH)(H)2	117.8920	0.000	1	117.8920	0.000	1	114.3654	19.873	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CC[6a]CC)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(CC[6a]CC)(CCHH)(H)2	109.5975	0.583	2	109.5975	0.340	2	114.3654	19.873	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:S-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(H)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHS)(H)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(CC[6a]HH)(CCHH)(H)2	117.3700	1.788	2	117.3700	3.195	2	114.3654	19.873	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	114.1720	0.000	1	114.1720	0.000	1	116.8500	1.612	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	117.0110	0.993	7	117.0110	0.985	7	116.8500	1.612	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3]CH)(CCHH)(H)2	C(CC[3,5]CH)(CCHH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3]CH)(CCHH)(H)2	117.6255	0.207	2	117.6255	0.043	2	116.8500	1.612	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3,5]CH)(CC[3]HH)(H)2	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(C[3]C[3]O[3]C)(CCHH)(H)2	115.2245	0.192	2	115.2245	0.037	2	115.2245	0.037	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	114.8780	0.194	2	114.8780	0.038	2	115.7715	15.655	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	116.2182	5.028	4	116.2182	25.281	4	115.7715	15.655	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x6]CH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CCHH)(CH3)(H)2	C(CC[3x6]CH)(CCHH)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CCHH)(CH3)(H)2	113.6610	0.000	1	113.6610	0.000	1	113.6610	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]CH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[6]HH)(CCHH)(H)2	C(CC[5,5]CH)(CCHH)(H)2	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[6]HH)(CCHH)(H)2	113.8870	3.384	2	113.8870	11.453	2	113.8870	11.453	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CCHH)2(H)2	118.2250	0.423	2	118.2250	0.179	2	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CCHH)2(H)2	113.1160	0.788	2	113.1160	0.620	2	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CBrHH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CBrHH)(CCHH)(H)2	114.1210	0.000	1	114.1210	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	115.7239	2.309	13	115.7239	5.330	13	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCO)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCO)(CCHH)(H)2	114.3980	0.000	1	114.3980	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(H)2	114.6990	1.217	5	114.6990	1.481	5	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	116.1280	0.000	1	116.1280	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(H)2	114.4933	1.500	3	114.4933	2.250	3	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCHH)2(H)2	115.1067	1.304	110	115.1067	1.699	110	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	117.2133	0.583	3	117.2133	0.340	3	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]CH)(CCHH)(H)2	118.8435	2.082	4	118.8435	4.333	4	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C(CRuCH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C(CRuCH)(CCHH)(H)2	112.9647	0.186	3	112.9647	0.035	3	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CCHH)2(H)2	118.0460	0.000	1	118.0460	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CCHH)(CH3)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CCHH)(CH3)(H)2	114.8637	1.078	12	114.8637	1.162	12	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CCHH)2(H)2	117.1815	0.452	2	117.1815	0.204	2	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CCHH)2(H)2	115.2610	0.000	1	115.2610	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)(CCHO)(H)2	119.0950	0.000	1	119.0950	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)2(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CCHH)2(H)2	119.3430	0.000	1	119.3430	0.000	1	115.3062	2.740	166	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	116.7000	0.000	1	116.7000	0.000	1	116.1985	0.503	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(CC[3]HH)(CC[5]CH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(C[3]C[3]O[3]C)(CCHH)(H)2	115.6970	0.000	1	115.6970	0.000	1	116.1985	0.503	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C(CC[4]HH)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[4]C[4]O[4]H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[4]C[4]O[4]H)(CCHH)(H)2	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(Cl)(H)	114.2087	0.281	3	114.2087	0.079	3	114.2087	0.079	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	116.0377	0.414	3	116.0377	0.171	3	116.9288	8.128	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	118.9055	5.335	2	118.9055	28.464	2	116.9288	8.128	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CH)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	115.6490	0.000	1	115.6490	0.000	1	116.9288	8.128	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(CCHH)(H)2	118.7560	0.000	1	118.7560	0.000	1	116.1223	5.411	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(C[6]C[6]O[6]H)(CCHH)(H)2	114.3480	0.000	1	114.3480	0.000	1	116.1223	5.411	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(CC[5]CH)(CC[6]HH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(C[6]C[6]O[6]C)(CCHH)(H)2	115.2630	0.000	1	115.2630	0.000	1	116.1223	5.411	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CC[5]HN)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(CC[6a]HH)(CCHH)(H)2	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Pd)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	112.7739	0.493	7	112.7739	0.243	7	113.3810	2.237	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2Ru)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	115.8010	2.007	2	115.8010	4.027	2	113.3810	2.237	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:P-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]HH)(CC[5]HP)(H)2	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(H)2	112.7910	0.000	1	112.7910	0.000	1	113.3810	2.237	10	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:S-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C(CC[5]HH)(CC[5]HS)(H)2	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	112.5600	0.000	1	112.5600	0.000	1	112.5600	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C(CC[6]ClC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CCHH)2(H)2	C(CC[6]ClC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CCHH)2(H)2	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	118.3960	0.000	1	118.3960	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	117.4100	0.000	1	117.4100	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)2(H)2	116.8740	0.000	1	116.8740	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	118.5052	0.795	6	118.5052	0.632	6	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	119.6849	2.646	9	119.6849	7.001	9	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	114.8975	0.545	2	114.8975	0.297	2	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CCHH)(CH3)(H)2	113.5197	0.546	3	113.5197	0.298	3	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C(CCHH)2(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C(CCHH)2(H)2	115.0920	2.077	2	115.0920	4.316	2	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(CHHO)(H)2	116.0620	0.000	1	116.0620	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	116.9170	2.068	2	116.9170	4.275	2	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CCHH)(CH3)(H)2	115.8740	0.000	1	115.8740	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	C(CC[6]CH)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CCHH)(CH3)(H)2	116.8790	0.000	1	116.8790	0.000	1	117.4687	6.803	30	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C(CC[5,5]HH)(CC[6]CH)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCHH)(H)2	113.9313	0.719	3	113.9313	0.517	3	115.0565	5.409	4	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C(CC[5]HH)(CC[6]CH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(C[5]C[5]O[5]O)(CCHH)(H)2	118.4320	0.000	1	118.4320	0.000	1	115.0565	5.409	4	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CCHN)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CC[6a]HH)(CCHH)(H)2	116.1530	0.000	2	116.1530	0.000	2	116.5695	1.238	4	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	C(CCHH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	116.9860	1.738	2	116.9860	3.021	2	116.5695	1.238	4	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	C(NC[6]HH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	C(NC[6]HH)(CCHH)(H)2	113.3500	0.000	1	113.3500	0.000	1	115.8998	3.914	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(CH3)(H)	C(NC[6]NiH)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]NiH)(CCHH)(CH3)(H)	C(NC[6]NiH)(CCHH)(H)2	115.7350	1.800	2	115.7350	3.241	2	115.8998	3.914	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(NC[6]ZnC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(NC[6]ZnC)(CCHH)(H)2	118.2650	0.000	1	118.2650	0.000	1	115.8998	3.914	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C(CCHN)(CHHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(NCuCC)(CCHH)(H)2	C(CCHN)(CHHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(NCuCC)(CCHH)(H)2	116.4140	0.000	1	116.4140	0.000	1	115.8998	3.914	5	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	C(CN[6]CH)(CCHH)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CCHH)(CHHN)(H)2	117.2083	1.449	3	117.2083	2.100	3	117.2083	2.100	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CPtCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CPtCH)(CCHH)(H)2	112.3730	0.000	1	112.3730	0.000	1	111.8667	0.199	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CPdCH)(CCHH)(H)2	C(CCHH)(CCHP)(H)2	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CPdCH)(CCHH)(H)2	111.6960	0.000	1	111.6960	0.000	1	111.8667	0.199	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHP)(H)2	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)2(H)2	C(CCHH)(CCHP)(H)2	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)2(H)2	111.5310	0.000	1	111.5310	0.000	1	111.8667	0.199	3	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(PC[6a]2Ru)(CCHH)(H)2	C(CCHP)(CHHP)(H)2	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(PC[6a]2Ru)(CCHH)(H)2	116.1782	0.325	6	116.1782	0.105	6	116.1782	0.105	6	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	P[5]-4:C-4:H-1:H-1:	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(P[5]C[5]2Pd)(CCHH)(H)2	C(CP[5]CH)(CP[5]HH)(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(P[5]C[5]2Pd)(CCHH)(H)2	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:I-1:	C(CCHI)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHH)(CC3)(H)(I)	115.3085	1.040	2	115.3085	1.082	2	115.3085	1.082	2	115.8255	5.378	591	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	116.4035	0.896	2	116.4035	0.803	2	116.5738	6.127	5	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	120.6240	0.000	1	120.6240	0.000	1	116.5738	6.127	5	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OC)(H)	115.1460	0.000	1	115.1460	0.000	1	116.5738	6.127	5	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCHH)(CCHO)(OC)(H)	114.2920	0.000	1	114.2920	0.000	1	116.5738	6.127	5	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-2:H-1:	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]CH)(CCHO)(H)2	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[6]CH)(CCHO)(H)2	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(OH)(H)	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	116.1784	4.542	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(COO)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(COO)(H)	118.8430	0.000	1	118.8430	0.000	1	116.6270	3.683	3	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	C(CCHH)2(CCO)(H)	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	C(CCHH)2(CCO)(H)	115.5190	0.000	2	115.5190	0.000	2	116.6270	3.683	3	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(NCH)(H)	116.1315	0.480	4	116.1315	0.230	4	116.2830	0.287	5	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CH3)2(H)	C(CCHH)2(NCO)(H)	116.8890	0.000	1	116.8890	0.000	1	116.2830	0.287	5	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:H-1:	C-4:N-4:C-3:H-1:	C(CCHN)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHH)(NH3)(COO)(H)	C(CCHN)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHH)(NH3)(COO)(H)	115.7810	0.000	1	115.7810	0.000	1	115.7810	0.000	1	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(CCO)(H)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CCHH)(CH3)(CCO)(H)	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	C(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(COO)(H)	114.8993	1.699	6	114.8993	2.887	6	114.8993	2.887	6	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(NCC)(H)	116.0840	1.178	12	116.0840	1.388	12	116.0272	1.314	13	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(C[5]C[5]2Fe)(CCHH)(NCH)(H)	115.3460	0.000	1	115.3460	0.000	1	116.0272	1.314	13	115.8541	1.719	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	C(CCHH)(CH3)2(H)	116.7080	0.885	2	116.7080	0.784	2	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	114.3225	1.889	4	114.3225	3.568	4	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)2(CH3)(H)	113.3890	0.000	1	113.3890	0.000	1	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	C(CCHH)(CH3)2(H)	115.0530	0.000	1	115.0530	0.000	1	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	C(CCHH)(CH3)2(H)	116.2965	0.616	23	116.2965	0.380	23	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	115.8670	0.000	1	115.8670	0.000	1	115.9323	1.346	32	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CCHH)(CFHP)(NH3)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CFHP)(NH3)(H)	C(CCHH)(CH3)2(H)	113.9230	0.000	1	113.9230	0.000	1	115.1780	3.150	2	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NH3)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CNiOO)(CCHH)(NH3)(H)	C(CCHH)(CH3)2(H)	116.4330	0.000	1	116.4330	0.000	1	115.1780	3.150	2	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:S-4:S-4:H-1:	C-4:S-4:S-4:H-1:	C(CHSS)2(H)2	C(CCHH)(SCOO)2(H)	C(CCHH)(SCOO)2(H)	C(CHSS)2(H)2	C(CCHH)(SCOO)2(H)	C(CCHH)(SCOO)2(H)	114.3880	0.000	2	114.3880	0.000	2	114.3880	0.000	2	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]HH)(CCHH)(CH3)(H)	120.7150	0.000	1	120.7150	0.000	1	116.7492	5.397	6	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	115.2880	0.681	3	115.2880	0.464	3	116.7492	5.397	6	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	116.9580	1.959	2	116.9580	3.836	2	116.7492	5.397	6	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C[5]-4:C-4:C-4:H-1:	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HN)(H)2	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	114.3633	0.775	3	114.3633	0.600	3	114.3633	0.600	3	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]2H)(CC[5]CH)(H)2	C(C[5]C[5]2Fe)(C[5]C[5]2Zr)(CCHH)(H)	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	117.0190	0.431	2	117.0190	0.186	2	117.0190	0.186	2	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]CH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CCHH)2(CH3)(H)	115.1687	0.718	3	115.1687	0.516	3	115.1687	0.516	3	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	115.2300	0.000	1	115.2300	0.000	1	114.3911	2.134	11	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	113.9992	1.226	9	113.9992	1.503	9	114.3911	2.134	11	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	C(CCHH)(CH3)2(H)	117.0790	0.000	1	117.0790	0.000	1	114.3911	2.134	11	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)2(H)2	C(NCoCH)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(NCoCH)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)(H)	114.5290	0.000	1	114.5290	0.000	1	118.0625	9.887	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)2(H)2	C(NPdCC)(CCHH)2(H)	C(NPdCC)(CCHH)2(H)	C(CCHN)2(H)2	C(NPdCC)(CCHH)2(H)	C(NPdCC)(CCHH)2(H)	116.2950	0.000	1	116.2950	0.000	1	118.0625	9.887	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)2(H)2	C(NPtCH)(CCHH)(CH3)(H)	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(NPtCH)(CCHH)(CH3)(H)	C(NPtCH)(CCHH)(CH3)(H)	120.7130	0.027	2	120.7130	0.001	2	118.0625	9.887	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]CH)(CCCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CCHH)(CH3)2(H)	C(CN[6]CH)(CCCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CCHH)(CH3)2(H)	115.1320	0.000	1	115.1320	0.000	1	115.1320	0.000	1	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N[6]-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CN[6]CH)(CCHN)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	C(NPdCC)(CCHH)2(H)	C(CN[6]CH)(CCHN)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	C(NPdCC)(CCHH)2(H)	115.6037	0.678	3	115.6037	0.460	3	115.6037	0.460	3	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C(CCHN)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(NPdCH)(CCHH)(CH3)(H)	118.2730	0.000	1	118.2730	0.000	1	118.2730	0.000	1	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C(CCHP)2(H)2	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(PC[6a]2Co)(CCHH)(CH3)(H)	119.1320	0.000	1	119.1320	0.000	1	118.3730	0.679	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C(CCHP)2(H)2	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(PC[6a]2Cr)(CCHH)(CH3)(H)	118.6210	0.000	1	118.6210	0.000	1	118.3730	0.679	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C(CCHP)2(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	118.5370	0.000	1	118.5370	0.000	1	118.3730	0.679	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C(CCHP)2(H)2	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(PC[6a]2Pd)(CCHH)(CH3)(H)	117.2020	0.000	1	117.2020	0.000	1	118.3730	0.679	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	P[5]-4:C-4:C-4:H-1:	C(CP[5]CH)2(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	118.5450	0.000	1	118.5450	0.000	1	119.1532	3.041	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	P[5]-4:C-4:C-4:H-1:	P[5]-4:C-4:C-4:H-1:	C(CP[5]CH)2(H)2	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(P[5]C[5]2S)(CCHH)(CH3)(H)	119.3560	2.077	3	119.3560	4.315	3	119.1532	3.041	4	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:O-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]CH)(CCCH)(H)(O)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	115.2150	0.000	1	115.2150	0.000	1	115.2150	0.000	1	116.0529	3.515	79	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(CCCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCHH)2(CH3)(OH)	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	117.8667	6.022	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(CC[6]CH)(CCCO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]CH)(CCCO)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CCHH)(CCHO)(CH3)(OH)	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	117.8667	6.022	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:2:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(CCHH)(CF3)2(OCu)	C(CCCO)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(CCHH)(CF3)2(OCu)	115.0690	0.000	1	115.0690	0.000	1	115.0690	0.000	1	117.8667	6.022	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	C(CCHH)(CH3)2(NCC)	116.6810	0.000	1	116.6810	0.000	1	117.7093	0.711	13	117.7093	0.711	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(CH3)2(NCH)	117.7950	0.819	12	117.7950	0.671	12	117.7093	0.711	13	117.7093	0.711	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CC3)(H)2	C(CCHH)(CHHP)(CH3)(H)	C(CCHH)(CH3)3	C(CCCH)(CC3)(H)2	C(CCHH)(CHHP)(CH3)(H)	C(CCHH)(CH3)3	117.9280	1.278	5	117.9280	1.633	5	118.2847	1.823	7	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(CH3)3	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(H)	C(CCHH)(CH3)3	119.1765	1.476	2	119.1765	2.178	2	118.2847	1.823	7	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	C(CCHH)(NCCH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NCCH)(CH3)(H)	C(CCHH)(NCCH)(CH3)2	116.6150	0.000	1	116.6150	0.000	1	117.6223	1.855	3	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(CH3)2	118.1260	1.479	2	118.1260	2.188	2	117.6223	1.855	3	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]CH)(CC3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CH3)3	C(CC[5]CH)(CC3)(H)2	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CCHH)(CH3)3	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HS)(CC3)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CH3)3	C(CC[6]HS)(CC3)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)(H)	C(CCHH)(CH3)3	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NCoCC)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NCoCC)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)2	117.7037	0.824	4	117.7037	0.678	4	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NCoCH)(CCHH)(CH3)(H)	C(NCoCH)(CCHH)(CH3)2	117.5482	0.739	5	117.5482	0.546	5	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NCrCH)(CCHH)(CH3)(H)	C(NCrCH)(CCHH)(CH3)2	119.3210	0.656	12	119.3210	0.430	12	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NCuCC)(CCHH)(CH3)(H)	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NCuCC)(CCHH)(CH3)(H)	C(NCuCH)(CCHH)(CH3)2	119.9630	0.000	1	119.9630	0.000	1	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(H)	C(NCuCH)(CCHH)(CH3)2	118.6636	0.543	7	118.6636	0.295	7	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)(H)	C(NFeCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NFeCH)(CCHH)(CH3)(H)	C(NFeCH)(CCHH)(CH3)2	119.2393	0.845	3	119.2393	0.715	3	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NNiCC)(CCHH)(CH3)(H)	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NNiCC)(CCHH)(CH3)(H)	C(NNiCH)(CCHH)(CH3)2	118.2695	1.143	4	118.2695	1.306	4	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NNiCH)(CCHH)(CH3)(H)	C(NNiCH)(CCHH)(CH3)2	119.3192	0.912	72	119.3192	0.831	72	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)(H)	C(NRhCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(NRhCH)(CCHH)(CH3)(H)	C(NRhCH)(CCHH)(CH3)2	119.5685	0.944	2	119.5685	0.891	2	119.1085	0.965	110	119.0114	1.094	122	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CCHH)(H)2	115.8390	1.488	2	115.8390	2.213	2	116.6990	3.326	3	116.6990	3.326	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CCHH)(H)2	118.4190	0.000	1	118.4190	0.000	1	116.6990	3.326	3	116.6990	3.326	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:F-1:F-1:	C[5]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CCFF)(F)3	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CCFF)(F)3	119.4722	2.549	18	119.4722	6.499	18	119.4722	6.499	18	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)(CF3)(NC)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)(CF3)(NC)	C(CCHH)(H)3	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(OC)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)(CH3)2(OC)	C(CCHH)(H)3	110.3010	0.000	1	110.3010	0.000	1	114.9499	2.050	15	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)3(OC)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)3(OC)	C(CCHH)(H)3	114.8407	0.877	3	114.8407	0.769	3	114.9499	2.050	15	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(H)2	C(CCHH)3(OH)	C(CCHH)(H)3	C(CCCO)(CH3)(H)2	C(CCHH)3(OH)	C(CCHH)(H)3	115.4024	0.571	11	115.4024	0.326	11	114.9499	2.050	15	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C(CC[5,6]CN)(CF3)(H)2	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CCHH)(F)3	C(CC[5,6]CN)(CF3)(H)2	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CCHH)(F)3	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C(CC[5]CN)(CF3)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CCHH)(F)3	C(CC[5]CN)(CF3)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CCHH)(F)3	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CCHH)(H)3	122.8070	0.000	1	122.8070	0.000	1	117.0114	11.021	5	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CCHH)(H)3	115.7075	1.414	2	115.7075	1.998	2	117.0114	11.021	5	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CCHH)(H)3	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CCHH)(H)3	115.4175	0.122	2	115.4175	0.015	2	117.0114	11.021	5	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C(CC[6]CN)(CF3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CCHH)(F)3	C(CC[6]CN)(CF3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CCHH)(F)3	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	117.3372	8.594	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:2:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:O-2:O-2:H-1:	C(CCCO)(CHOO)(H)2	C(CCHH)(CF3)2(OC)	C(CCHH)(OC)2(H)	C(CCCO)(CHOO)(H)2	C(CCHH)(CF3)2(OC)	C(CCHH)(OC)2(H)	116.5185	0.237	2	116.5185	0.056	2	116.5185	0.056	2	116.5185	0.056	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCC)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCC)(H)2	115.4800	0.000	1	115.4800	0.000	1	115.7401	2.744	11	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCH)(H)2	117.9110	0.857	2	117.9110	0.734	2	115.7401	2.744	11	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	C(CCHH)(CCC)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	C(CCHH)(CCC)(H)2	116.0170	0.307	3	116.0170	0.094	3	115.7401	2.744	11	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	C(CCHH)(CCO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	C(CCHH)(CCO)(H)2	113.5660	0.799	3	113.5660	0.639	3	115.7401	2.744	11	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCHH)(CCC)(H)2	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCHH)(CCC)(H)2	116.5450	0.199	2	116.5450	0.040	2	115.7401	2.744	11	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C(CCCO)(CHHN)(H)2	C(CCHH)(CH3)2(OC)	C(CCHH)(NCC)(H)2	C(CCCO)(CHHN)(H)2	C(CCHH)(CH3)2(OC)	C(CCHH)(NCC)(H)2	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	116.5170	1.755	2	116.5170	3.080	2	117.4040	1.903	6	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	117.8475	1.166	4	117.8475	1.359	4	117.4040	1.903	6	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CCHH)(CCH)(H)2	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CCHH)(CCH)(H)2	117.9210	0.000	1	117.9210	0.000	1	117.3190	0.282	3	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	C(CC[6]CO)(CCHH)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CCHH)(CCH)(H)2	117.0180	0.146	2	117.0180	0.021	2	117.3190	0.282	3	116.3837	2.718	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	C(CCHH)2(H)2	117.1010	2.738	2	117.1010	7.496	2	117.1010	7.496	2	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)2(NCr)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)(CH3)2(NCr)	C(CCCN)(CCHH)(H)2	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	C(CCHH)2(Cl)(H)	C(CClCH)(CCCO)(H)2	C(CCHH)(CHHO)(CH3)(OH)	C(CCHH)2(Cl)(H)	116.7995	0.469	2	116.7995	0.220	2	116.7995	0.220	2	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCHH)(CCHO)(H)2	114.6570	0.000	1	114.6570	0.000	1	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)2(OC)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)2(OC)	C(CCHH)2(H)2	115.7290	1.130	2	115.7290	1.277	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	C(CCCH)(CCHH)(H)2	112.7090	0.000	1	112.7090	0.000	1	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	C(CCHH)2(H)2	117.2152	1.453	4	117.2152	2.111	4	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCHH)(H)2	116.6593	1.761	3	116.6593	3.102	3	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)2(H)2	116.7150	0.000	1	116.7150	0.000	1	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	115.7360	0.000	1	115.7360	0.000	1	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)2(H)2	117.2240	1.164	2	117.2240	1.355	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CF3)2(OH)	C(CCHH)(CH3)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CF3)2(OH)	C(CCHH)(CH3)(H)2	116.3345	0.952	2	116.3345	0.907	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)(CH3)2(OH)	C(CCHH)2(H)2	116.1838	0.234	4	116.1838	0.055	4	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CCHH)2(CHHO)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CHHO)(OH)	C(CCHH)2(H)2	116.6405	2.030	2	116.6405	4.121	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	116.9160	1.631	3	116.9160	2.659	3	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	115.4585	1.791	2	115.4585	3.208	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	115.8690	0.000	1	115.8690	0.000	1	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCHH)2(H)2	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCHH)2(H)2	119.9595	0.281	2	119.9595	0.079	2	116.5387	2.640	31	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[3]C[3]2C)(CCHH)(H)2	120.0670	0.000	1	120.0670	0.000	1	118.3043	9.805	3	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[3]C[3]2C)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[3]C[3]2C)(CCHH)(H)2	120.1570	0.000	1	120.1570	0.000	1	118.3043	9.805	3	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[3]C[3]2H)(CCHH)(H)2	114.6890	0.000	1	114.6890	0.000	1	118.3043	9.805	3	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6]C[6]2H)(CCHH)(H)2	117.1830	0.123	2	117.1830	0.015	2	117.1830	0.015	2	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:Si-4:O-2:	C-4:C-4:H-1:H-1:	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(SiC3)(OH)	C(CCHH)(CCHO)(H)2	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(SiC3)(OH)	C(CCHH)(CCHO)(H)2	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OH)	C(CCHH)2(H)2	116.9560	0.537	2	116.9560	0.289	2	116.8140	2.624	4	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OMo)	C(CCHH)2(H)2	C(CCHH)(COPP)(H)2	C(CCHH)(PO3)2(OMo)	C(CCHH)2(H)2	116.6720	2.739	2	116.6720	7.504	2	116.8140	2.624	4	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:N-4:H-1:H-1:	C(CHHN)(COPP)(H)2	C(CCHH)(PO3)2(OH)	C(CCHH)(NH3)(H)2	C(CHHN)(COPP)(H)2	C(CCHH)(PO3)2(OH)	C(CCHH)(NH3)(H)2	113.3110	0.110	2	113.3110	0.012	2	113.3110	0.012	2	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:N-2:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[4]CN)(H)2	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[4]CN)(H)2	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(C[3]C[3]O[3]H)(CCHH)(H)2	117.8840	0.000	1	117.8840	0.000	1	117.8840	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5,5,6]CO)(CCHH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CCHH)2(H)2	C(CC[5,5,6]CO)(CCHH)(H)2	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CCHH)2(H)2	117.0860	0.562	5	117.0860	0.316	5	117.0860	0.316	5	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5,5]CO)(CC[5]HH)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCHO)(H)2	120.9190	0.344	2	120.9190	0.118	2	119.2450	2.916	9	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CCHH)2(H)2	115.7770	0.000	1	115.7770	0.000	1	119.2450	2.916	9	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCHH)(H)2	117.6790	0.000	1	117.6790	0.000	1	119.2450	2.916	9	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CCCH)(CCHH)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CCCH)(CCHH)(H)2	119.2280	0.132	4	119.2280	0.017	4	119.2450	2.916	9	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CCHH)(CCHO)(H)2	120.9990	0.000	1	120.9990	0.000	1	119.2450	2.916	9	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(C[3]C[3]2H)(CCHH)(H)2	C(CC[3]HH)(CC[5]CO)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(C[3]C[3]2H)(CCHH)(H)2	116.7490	0.659	2	116.7490	0.434	2	116.7490	0.434	2	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[4]-4:C-4:H-1:H-1:	C(CC[4]HH)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(C[4]C[4]2H)(CCHH)(H)2	C(CC[4]HH)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(C[4]C[4]2H)(CCHH)(H)2	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	120.0620	0.000	1	120.0620	0.000	1	117.0314	5.002	7	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CCHH)(H)2	114.3245	0.091	2	114.3245	0.008	2	117.0314	5.002	7	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	118.9830	0.000	1	118.9830	0.000	1	117.0314	5.002	7	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	116.5580	0.078	2	116.5580	0.006	2	117.0314	5.002	7	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCHH)(H)2	118.4100	0.000	1	118.4100	0.000	1	117.0314	5.002	7	117.0719	3.456	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHH)(CC3)(OH)(H)	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C(CCCH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CH3)(CCO)(H)	115.9445	0.159	2	115.9445	0.025	2	115.9445	0.025	2	115.9445	0.025	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	C(CCHH)(CH3)2(H)	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	C(CCHH)(CH3)2(H)	118.6340	0.628	2	118.6340	0.394	2	118.6340	0.394	2	117.9948	2.358	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	C(CCHH)(CH3)2(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	C(CCHH)(CH3)2(H)	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	117.9948	2.358	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:4:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCOP)(H)2	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCHH)(CH3)2(H)	C(CCCH)(CCOP)(H)2	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCHH)(CH3)2(H)	117.1970	2.616	2	117.1970	6.845	2	117.1970	6.845	2	117.9948	2.358	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NC)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NC)	C(CCHH)(CH3)3	123.4965	1.273	2	123.4965	1.622	2	123.9270	0.821	4	123.9270	0.821	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:2:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NS)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NS)	C(CCHH)(CH3)3	124.3575	0.316	2	124.3575	0.100	2	123.9270	0.821	4	123.9270	0.821	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C-3:C-4:H-1:H-1:	C(CCHH)(CCNP)(H)2	C(CCHH)(CH3)(PO3)(NOO)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNP)(H)2	C(CCHH)(CH3)(PO3)(NOO)	C(CC[6a]O)(CCHH)(H)2	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	113.7755	2.374	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	3:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:N-3:	C-3:C-4:H-1:H-1:	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CC[6a]O)(CCHH)(H)2	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	113.7755	2.374	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)(CH3)2(COO)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)(CH3)2(COO)	C(CCHH)(H)3	116.9412	1.441	5	116.9412	2.076	5	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	C(CCHH)(H)3	115.9580	0.458	2	115.9580	0.210	2	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(CCHH)(H)3	114.3930	0.000	1	114.3930	0.000	1	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)(H)3	115.9280	0.000	1	115.9280	0.000	1	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(CCHH)(H)3	114.3580	0.170	2	114.3580	0.029	2	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CPdHH)(CCHH)2(CNO)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CPdHH)(CCHH)2(CNO)	C(CCHH)(H)3	114.5985	0.325	2	114.5985	0.105	2	115.7582	2.019	13	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	C(CCHH)(H)3	113.3630	0.000	1	113.3630	0.000	1	116.0312	2.644	5	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCHH)(H)3	117.6430	0.000	1	117.6430	0.000	1	116.0312	2.644	5	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NOO)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NOO)	C(CCHH)(H)3	115.8810	0.000	1	115.8810	0.000	1	116.0312	2.644	5	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHO)2(NNiC)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)(CHHO)2(NNiC)	C(CCHH)(H)3	116.6345	0.332	2	116.6345	0.110	2	116.0312	2.644	5	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(COO)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)(NH3)(COO)	C(CCHH)(H)3	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C(CCNP)(CH3)(H)2	C(CCHH)2(PO3)(NOO)	C(CCHH)(H)3	C(CCNP)(CH3)(H)2	C(CCHH)2(PO3)(NOO)	C(CCHH)(H)3	113.7010	0.000	1	113.7010	0.000	1	113.7010	0.000	1	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C(CNPP)(CH3)(H)2	C(CCHH)(PO3)2(NCH)	C(CCHH)(H)3	C(CNPP)(CH3)(H)2	C(CCHH)(PO3)2(NCH)	C(CCHH)(H)3	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3,5]-4:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC[3,5]CC)(CF3)(H)2	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C(CCHH)(F)3	C(CC[3,5]CC)(CF3)(H)2	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C(CCHH)(F)3	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	115.7240	2.093	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-2:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CCHH)(CN)(H)2	113.0900	0.250	2	113.0900	0.063	2	113.0900	0.063	2	112.7333	0.413	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C(CHHO)(CC3)(H)2	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(OC)(H)2	C(CHHO)(CC3)(H)2	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(OC)(H)2	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	112.7333	0.413	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CCHN)(CH3)(CCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCHN)(CH3)(CCH)	C(CCHH)(CCH)(H)2	116.9150	1.998	2	116.9150	3.993	2	116.7710	1.556	6	116.1047	4.404	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CCHH)(CCH)(H)2	115.5230	0.000	1	115.5230	0.000	1	116.7710	1.556	6	116.1047	4.404	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CCHH)(CCH)(H)2	117.4895	0.964	2	117.4895	0.929	2	116.7710	1.556	6	116.1047	4.404	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(CCHH)(CCH)(H)2	116.2940	0.000	1	116.2940	0.000	1	116.7710	1.556	6	116.1047	4.404	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(COO)(H)2	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(COO)(H)2	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	116.1047	4.404	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)2(CCC)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CH3)2(CCC)	C(CCHH)2(H)2	118.5032	1.605	10	118.5032	2.578	10	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)2(H)2	116.4660	0.076	2	116.4660	0.006	2	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CCHH)2(H)2	116.1933	0.500	4	116.1933	0.250	4	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	C(CCHH)2(H)2	115.7345	1.167	2	115.7345	1.363	2	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(CN[6]HH)(CCHH)(H)2	114.7650	0.000	1	114.7650	0.000	1	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6]HO)(CCHH)2(CCS)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CC[6]HO)(CCHH)2(CCS)	C(CCHH)2(H)2	114.8950	0.000	2	114.8950	0.000	2	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)2(H)2	118.6370	0.000	1	118.6370	0.000	1	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(CCHH)2(H)2	118.0100	0.000	2	118.0100	0.000	2	117.2258	3.115	24	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	C(CC[4,6]HH)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	C(CC[4,6]HH)(CCHH)(H)2	114.0520	0.000	1	114.0520	0.000	1	114.0520	0.000	1	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)2(H)2	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)2(H)2	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	117.0062	3.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	C(CCHH)2(CNO)(H)	C(CCCH)(CC3)(H)2	C(CCHH)(CH3)2(CNO)	C(CCHH)2(CNO)(H)	119.6570	0.075	2	119.6570	0.006	2	119.6570	0.006	2	119.6570	0.006	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-3:	N-4:C-4:C-4:H-1:	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(CHH)	C(NCuCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(NCuCH)(CCHH)(CH3)(CHH)	C(NCuCC)(CCHH)(CH3)(H)	118.5570	0.000	1	118.5570	0.000	1	118.5570	0.000	1	118.5570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-4:	C(CC3)2(H)2	C(CCHH)2(CH3)(CNO)	C(CCHH)(CH3)3	C(CC3)2(H)2	C(CCHH)2(CH3)(CNO)	C(CCHH)(CH3)3	122.9840	0.000	1	122.9840	0.000	1	122.9840	0.000	1	123.3959	1.226	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NCH)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NCH)	C(CCHH)(CH3)3	123.9917	0.664	4	123.9917	0.440	4	123.4547	1.398	7	123.3959	1.226	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHH)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHH)	C(CCHH)(CH3)3	123.5530	0.000	1	123.5530	0.000	1	123.4547	1.398	7	123.3959	1.226	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:3:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHS)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NHS)	C(CCHH)(CH3)3	122.3315	1.839	2	122.3315	3.383	2	123.4547	1.398	7	123.3959	1.226	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	2:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C(CHHO)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(OC[6a])(CCHH)(H)2	C(CHHO)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(OC[6a])(CCHH)(H)2	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	113.6900	3.480	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	2:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C(CCCS)(CHHO)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	C(OC[6a])(CCHH)(H)2	C(CCCS)(CHHO)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	C(OC[6a])(CCHH)(H)2	112.3710	0.000	1	112.3710	0.000	1	112.3710	0.000	1	113.6900	3.480	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)(CH3)3	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)(CH3)3	C(CCHH)(H)3	110.7043	5.422	3	110.7043	29.393	3	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)(CHHN)3	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)(CHHN)3	C(CCHH)(H)3	116.4980	0.000	1	116.4980	0.000	1	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	C(CCHH)(H)3	115.7488	0.913	6	115.7488	0.834	6	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)(CHHP)3	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)(CHHP)3	C(CCHH)(H)3	116.8310	0.000	1	116.8310	0.000	1	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	C(CCHH)(H)3	116.3505	0.613	4	116.3505	0.376	4	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	C(CCHH)(H)3	115.5885	0.262	2	115.5885	0.069	2	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(H)3	115.7629	0.895	10	115.7629	0.802	10	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	C(CCHH)(H)3	115.8370	0.000	1	115.8370	0.000	1	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	C(CCHH)(H)3	117.7880	0.455	2	117.7880	0.207	2	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	C(CCHH)(H)3	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	C(CCHH)(H)3	117.3640	1.803	3	117.3640	3.250	3	115.6863	5.427	33	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCHH)(H)3	115.6830	0.000	1	115.6830	0.000	1	114.5386	14.525	8	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)2(NH3)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)(CH3)2(NH3)	C(CCHH)(H)3	113.6028	4.734	5	113.6028	22.410	5	114.5386	14.525	8	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NH3)	C(CCHH)(H)3	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NH3)	C(CCHH)(H)3	116.3060	0.317	2	116.3060	0.100	2	114.5386	14.525	8	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C(CNPP)(CH3)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)(H)3	C(CNPP)(CH3)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)(H)3	116.2837	1.377	3	116.2837	1.896	3	116.2837	1.896	3	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCP)(CH3)(H)2	C(CCHH)(PCHH)(CH3)2	C(CCHH)(H)3	C(CCCP)(CH3)(H)2	C(CCHH)(PCHH)(CH3)2	C(CCHH)(H)3	116.4288	0.273	4	116.4288	0.075	4	116.4288	0.075	4	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C(CC[3]CC)(CF3)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CCHH)(F)3	C(CC[3]CC)(CF3)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CCHH)(F)3	118.9535	0.291	2	118.9535	0.084	2	118.9535	0.084	2	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)(H)3	C(CC[5]CC)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)(H)3	115.3955	0.517	2	115.3955	0.267	2	115.3955	0.267	2	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Eu)2(CCHH)2	C(CCHH)(H)3	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Eu)2(CCHH)2	C(CCHH)(H)3	114.7110	0.539	4	114.7110	0.290	4	114.9356	0.201	11	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Mo)2(CCHH)2	C(CCHH)(H)3	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Mo)2(CCHH)2	C(CCHH)(H)3	115.0640	0.369	7	115.0640	0.136	7	114.9356	0.201	11	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6]CC)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)(H)3	C(CC[6]CC)(CH3)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)(H)3	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCHH)(H)3	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCHH)(H)3	115.8915	0.548	4	115.8915	0.300	4	116.6691	1.327	9	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)3	C(CCHH)(H)3	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)3	C(CCHH)(H)3	117.2912	1.158	5	117.2912	1.341	5	116.6691	1.327	9	115.6417	5.158	73	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C(CCCN)(CHHO)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCHH)(OH)(H)2	C(CCCN)(CHHO)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCHH)(OH)(H)2	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	117.8810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CCH)(H)2	117.4170	0.000	2	117.4170	0.000	2	118.2623	2.144	3	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	C(CCHH)(CCH)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	C(CCHH)(CCH)(H)2	119.9530	0.000	1	119.9530	0.000	1	118.2623	2.144	3	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-3:H-1:H-1:	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCHH)(COO)(H)2	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCHH)(COO)(H)2	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)(CNO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)(CNO)(H)2	115.4450	0.000	1	115.4450	0.000	1	116.7517	5.261	3	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CCHH)(CNO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CCHH)(CNO)(H)2	115.4100	0.000	1	115.4100	0.000	1	116.7517	5.261	3	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CCHH)(CCO)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CCHH)(CCO)(H)2	119.4000	0.000	1	119.4000	0.000	1	116.7517	5.261	3	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CCHH)(CCH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CCHH)(CCH)(H)2	114.9150	0.000	1	114.9150	0.000	1	114.9150	0.000	1	116.8101	4.280	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:3:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C(CCHO)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(CCC)(OH)(H)	C(CCHO)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(CCC)(OH)(H)	119.0510	0.192	2	119.0510	0.037	2	119.0510	0.037	2	119.0510	0.037	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CBrCH)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CBrCH)(CCHH)(CH3)2	C(CCHH)2(H)2	118.0905	0.433	2	118.0905	0.188	2	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	C(CCHH)2(H)2	117.0760	0.000	1	117.0760	0.000	1	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)2(H)2	116.5817	0.772	8	116.5817	0.596	8	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	C(CCHH)2(H)2	118.4910	0.000	1	118.4910	0.000	1	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[3]CH)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CCHH)(CC3)(H)2	C(CC[3]CH)(CCHH)(CH3)2	C(CCHH)2(H)2	118.1170	0.225	4	118.1170	0.051	4	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CCHO)(H)2	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CCHO)(H)2	118.7930	0.000	1	118.7930	0.000	1	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(CC[6a]HH)(CCHH)(H)2	118.9505	0.291	2	118.9505	0.084	2	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	C(CPtCH)(CCHH)(H)2	C(CCHH)(CC3)(H)2	C(CPtHH)(CCHH)(CH3)2	C(CPtCH)(CCHH)(H)2	117.0550	0.000	1	117.0550	0.000	1	117.5310	1.094	20	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)2(H)2	C(CCHH)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)2(H)2	118.3330	0.013	2	118.3330	0.000	2	118.3330	0.000	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:P-4:	C-4:P-4:H-1:H-1:	C(CHHP)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	C(CCHH)(NH3)(PO3)2	C(CCHH)(PO3)(H)2	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:Si-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CSiCC)(CCHH)(H)2	C(CCHH)(SiO3)(CH3)2	C(CCHH)(CH3)(H)2	C(CSiCC)(CCHH)(H)2	C(CCHH)(SiO3)(CH3)2	C(CCHH)(CH3)(H)2	117.4942	0.565	4	117.4942	0.319	4	117.4942	0.319	4	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]HH)(CCHH)(H)2	C(CC[4,6]CC)(CCHH)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]HH)(CCHH)(H)2	117.0250	0.000	1	117.0250	0.000	1	117.0250	0.000	1	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[4]CC)(CCHH)(H)2	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(CCHH)(H)2	C(CC[4]CC)(CCHH)(H)2	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(CCHH)(H)2	118.0705	0.500	2	118.0705	0.250	2	118.0705	0.250	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5,6]CC)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[5,6]CC)(CCHH)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CCHH)2(H)2	117.6810	0.571	5	117.6810	0.326	5	117.6810	0.326	5	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	119.5580	0.000	1	119.5580	0.000	1	118.0730	0.792	12	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CCHH)2(H)2	118.8950	0.000	1	118.8950	0.000	1	118.0730	0.792	12	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]HH)(CCHH)(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]HH)(CCHH)(H)2	117.4870	0.000	1	117.4870	0.000	1	118.0730	0.792	12	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CCHH)2(H)2	117.5138	0.847	4	117.5138	0.718	4	118.0730	0.792	12	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[5]CC)(CCHH)(H)2	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CCHH)2(H)2	118.1762	0.712	5	118.1762	0.507	5	118.0730	0.792	12	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C(CC[5]CC)(CC[6]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(C[6]O[6]2H)(CCHH)(H)2	C(CC[5]CC)(CC[6]HH)(H)2	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(C[6]O[6]2H)(CCHH)(H)2	115.3525	1.047	2	115.3525	1.097	2	115.3525	1.097	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[5]2C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C(CCHH)2(H)2	C(CC[5]2C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C(CCHH)2(H)2	118.0735	0.957	2	118.0735	0.915	2	118.0735	0.915	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	118.9955	0.853	17	118.9955	0.728	17	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	118.5972	1.124	30	118.5972	1.263	30	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CCHH)(CHHO)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CCHH)(CHHO)(H)2	116.1320	0.000	1	116.1320	0.000	1	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)(CCHO)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)(CCHO)(H)2	116.8690	0.000	1	116.8690	0.000	1	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)2(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CCHH)2(H)2	118.6566	1.238	9	118.6566	1.532	9	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[3]HH)(CCHH)(H)2	118.5550	0.000	1	118.5550	0.000	1	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[5a]HH)(CCHH)(H)2	C(CC[6]CC)(CCHH)(H)2	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[5a]HH)(CCHH)(H)2	121.2990	0.000	1	121.2990	0.000	1	118.6934	1.340	60	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[6]CC)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	C(CC[3]HH)(CC[6]CC)(H)2	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(C[3]C[3]O[3]H)(CCHH)(H)2	118.4800	1.315	4	118.4800	1.729	4	118.4800	1.729	4	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:P-4:P-4:	C-4:P-4:H-1:H-1:	C(CHHP)(CNPP)(H)2	C(NNiHH)(CCHH)(PO3)2	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	C(NNiHH)(CCHH)(PO3)2	C(CCHH)(PO3)(H)2	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCP)(CCHH)(H)2	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCH)(CCHH)(H)2	115.3770	0.000	1	115.3770	0.000	1	114.8480	0.560	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCP)(CCHH)(H)2	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCH)(CCHH)(H)2	C(CCCP)(CCHH)(H)2	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCH)(CCHH)(H)2	114.3190	0.000	1	114.3190	0.000	1	114.8480	0.560	2	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCS)(CCHH)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCHH)(CH3)(H)2	C(CCCS)(CCHH)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCHH)(CH3)(H)2	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	118.1357	1.770	119	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	C(CSiHH)(CCHH)(OC)(H)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	C(CSiHH)(CCHH)(OC)(H)	118.7210	0.000	1	118.7210	0.000	1	119.9717	2.185	3	119.9717	2.185	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:2:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	C(CSiHH)(CCHH)(OH)(H)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	C(CSiHH)(CCHH)(OH)(H)	120.5970	1.423	2	120.5970	2.024	2	119.9717	2.185	3	119.9717	2.185	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	4:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:C-4:C-4:C-4:	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NH3)	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CCHH)(CH3)2(NH3)	C(CCHH)(CH3)3	122.9252	0.545	5	122.9252	0.297	5	122.9252	0.297	5	122.9252	0.297	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	Ge[5,3x6]-5:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CGe[5,3x6]HH)(CC[6a]HH)(H)2	C(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	B-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)(H)2	C(BOs2CC)(CCHH)(H)2	C(CCHH)(H)3	C(CBHH)(CH3)(H)2	C(BOs2CC)(CCHH)(H)2	C(CCHH)(H)3	113.3715	2.224	2	113.3715	4.946	2	113.3715	4.946	2	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CHHNW)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CHHNW)(CCHH)(H)2	C(CCHH)(H)3	113.8212	1.641	4	113.8212	2.693	4	114.2698	9.759	10	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CLiMgHH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CLiMgHH)(CCHH)(H)2	C(CCHH)(H)3	114.3365	5.052	4	114.3365	25.521	4	114.2698	9.759	10	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(H)2	C(CMg2HH)(CCHH)(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(H)2	C(CMg2HH)(CCHH)(H)2	C(CCHH)(H)3	115.0335	1.095	2	115.0335	1.200	2	114.2698	9.759	10	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[4]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2NiH)(CCHH)(H)2	C(CCHH)(H)3	C(CC[4]HH)(CH3)(H)2	C(C[4]C[4]2NiH)(CCHH)(H)2	C(CCHH)(H)3	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	C(CCHH)(H)3	112.3465	1.491	2	112.3465	2.224	2	112.6777	1.441	3	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(H)2	C(SiC[6a]C[6]FeH)(CCHH)(H)2	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	C(SiC[6a]C[6]FeH)(CCHH)(H)2	C(CCHH)(H)3	113.3400	0.000	1	113.3400	0.000	1	112.6777	1.441	3	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si[5,5,6]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSi[5,5,6]HH)(CH3)(H)2	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CCHH)(H)3	C(CSi[5,5,6]HH)(CH3)(H)2	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CCHH)(H)3	113.0300	0.916	2	113.0300	0.840	2	113.0300	0.840	2	113.7067	6.133	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CMoCCH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCHH)2(H)2	C(CMoCCH)(CCHH)(H)2	C(CCHH)2(H)2	117.3330	0.000	2	117.3330	0.000	2	117.3330	0.000	2	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3,3,5,4x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3,3,5,4x6]HH)(CCHH)(H)2	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(CCHH)(H)2	C(CCHH)2(H)2	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(NH3)(H)2	C(CC[3x3,3x5,12x6]HH)(CHHN)(H)2	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCHH)(H)2	C(CCHH)(NH3)(H)2	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.2432	2.257	6	113.2432	5.092	6	112.8590	4.162	8	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]HH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(H)2	C(CCHH)2(H)2	111.7065	0.359	2	111.7065	0.129	2	112.8590	4.162	8	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PCCOU)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PCCOU)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.5673	1.113	12	112.5673	1.240	12	112.2434	1.909	60	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(H)2	C(PThCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CHHP)(H)2	C(PThCCO)(CCHH)(H)2	C(CCHH)(CH3)(H)2	112.1624	1.440	48	112.1624	2.073	48	112.2434	1.909	60	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	Si-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CSiHH)(CCHH)(H)2	C(SiC[5]2ZrC)(CCHH)(H)2	C(CCHH)(CH3)(H)2	113.7200	1.211	2	113.7200	1.465	2	113.7200	1.465	2	112.4135	2.960	74	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	4:4:2:2:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-4:C-4:H-2:H-2:	C(CCHH)2(H)2	C(CNaCHH)(CCHH)(H)2	C(CCHH)(CH3)(HNa)2	C(CCHH)2(H)2	C(CNaCHH)(CCHH)(H)2	C(CCHH)(CH3)(HNa)2	110.9195	0.138	2	110.9195	0.019	2	110.9195	0.019	2	110.9195	0.019	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:1:1:	5:4:1:1:	C-4:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C-5:C-4:H-1:H-1:	C(CCHH)2(H)2	C(CCr2HH)(CCHH)(H)2	C(CCr2HH)(CCHH)(H)2	C(CCHH)2(H)2	C(CCr2HH)(CCHH)(H)2	C(CCr2HH)(CCHH)(H)2	123.6850	0.000	1	123.6850	0.000	1	123.6850	0.000	1	123.6850	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	5:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CCHH)2(H)2	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CCHH)2(H)2	114.9140	0.000	1	114.9140	0.000	1	114.9140	0.000	1	114.9140	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:2:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	C(CCHH)2(H)2	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	C(CCHH)2(H)2	114.1290	0.000	1	114.1290	0.000	1	114.1290	0.000	1	114.1290	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CC[5x3,5x5,20x6]HH)(CN[5a]HH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	C(CCHH)2(H)2	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	C(CCHH)2(H)2	115.0220	0.000	1	115.0220	0.000	1	115.0220	0.000	1	112.7571	5.519	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)(CH3)(H)2	110.7620	0.000	1	110.7620	0.000	1	112.3797	5.426	6	112.7571	5.519	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCHH)(H)2	C(CCHH)2(H)2	112.2550	0.209	2	112.2550	0.044	2	112.3797	5.426	6	112.7571	5.519	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CCHH)(CH3)(H)2	109.8380	0.000	1	109.8380	0.000	1	112.3797	5.426	6	112.7571	5.519	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	6:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5x3,5x5,20x6]-6:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CCHH)2(H)2	C(CC[5x3,5x5,20x6]HH)(CCHH)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)(H)2	C(CCHH)2(H)2	114.5840	2.874	2	114.5840	8.258	2	112.3797	5.426	6	112.7571	5.519	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:1:1:	7:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	Si-7:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(H)2	C(SiTiO3WW)(CCHH)(H)2	C(CCHH)(H)3	C(CSiHH)(CH3)(H)2	C(SiTiO3WW)(CCHH)(H)2	C(CCHH)(H)3	113.7180	1.251	3	113.7180	1.565	3	113.7180	1.565	3	113.7180	1.565	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	112.5956	1.804	8	112.5956	3.253	8	112.5956	3.253	8	112.5956	3.253	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(Br)(H)2	C(CBrHH)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(Br)(H)2	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	110.4602	1.166	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)3	C(CHHO)(CH3)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)3	109.5855	0.080	2	109.5855	0.006	2	109.5855	0.006	2	110.4602	1.166	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)2(O)	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(H)2(O)	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	110.4602	1.166	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	C(CCHO)(H)3	C(CHHS)(CH3)(OH)(H)	C(SC[5])(CCHO)(H)2	C(CCHO)(H)3	110.5264	0.977	12	110.5264	0.954	12	110.5264	0.954	12	110.4602	1.166	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CHHO)2(OC)(H)	C(OC[6,6])(CCHO)(H)2	C(CCHO)(OC)(H)2	111.1730	0.000	1	111.1730	0.000	1	112.2992	2.253	25	112.2992	2.253	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	C(OC[5])(CCHO)(H)2	C(CCHO)(OH)(H)2	106.9250	0.000	1	106.9250	0.000	1	112.2992	2.253	25	112.2992	2.253	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	C(OC[6])(CCHO)(H)2	C(CCHO)(OH)(H)2	111.1000	0.000	1	111.1000	0.000	1	112.2992	2.253	25	112.2992	2.253	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CHHO)2(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OH)(H)2	112.6492	0.971	22	112.6492	0.942	22	112.2992	2.253	25	112.2992	2.253	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCC)(H)2	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCC)(H)2	111.2090	0.000	1	111.2090	0.000	1	110.6886	2.363	5	110.6886	2.363	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCH)(H)2	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCH)(H)2	110.5585	1.743	4	110.5585	3.038	4	110.6886	2.363	5	110.6886	2.363	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCHH)(H)2	111.4260	0.000	1	111.4260	0.000	1	110.6699	5.437	8	110.6699	5.437	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(NCHH)(H)2	110.5619	2.497	7	110.5619	6.234	7	110.6699	5.437	8	110.6699	5.437	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	S-2:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHOS)(OC)(H)	C(SC[6a])(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CCH)(H)	C(CC[6]HH)(CCHO)(H)2	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(OC[5])(CCHO)(CH3)(H)	C(CCHO)(H)3	113.7270	0.000	1	113.7270	0.000	1	113.2485	0.458	2	113.2485	0.458	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(OC[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	112.7700	0.000	1	112.7700	0.000	1	113.2485	0.458	2	113.2485	0.458	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHH)(CCHO)(H)	C(CC[6]HH)(CCHO)(H)2	117.4040	0.000	1	117.4040	0.000	1	115.1857	7.197	3	115.1857	7.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(OC[6])(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(H)2	115.9490	0.000	1	115.9490	0.000	1	115.1857	7.197	3	115.1857	7.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(OC[5])(CCHH)(CCHO)(H)	C(CC[5]HO)(CCHO)(H)2	112.2040	0.000	1	112.2040	0.000	1	115.1857	7.197	3	115.1857	7.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:3:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)(CCH)	C(CC[6]HH)(CCHO)(H)2	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:3:	4:4:3:1:	C-4:C-4:O-2:H-1:	Se-2:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	C(SeC[6a])(CCHO)(CH3)(COO)	C(CCHO)(CH3)(NCC)(H)	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:4:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(CH3)2	C(CCHO)(OH)(H)2	117.3820	0.037	2	117.3820	0.001	2	117.4917	0.037	3	117.4917	0.037	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:4:	4:2:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OH)(H)	C(OC[6a])(CCHO)(CH3)2	C(CCHO)(OC)(H)2	117.7110	0.000	1	117.7110	0.000	1	117.4917	0.037	3	117.4917	0.037	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	C(CC[6]HH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(OC[6])(CCHH)(CCHO)(CH3)	C(CC[6]HH)(CCHO)(H)2	116.5590	2.003	2	116.5590	4.010	2	115.7733	3.857	3	115.7733	3.857	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	2:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(OC[6])(CCHO)(CH3)2	C(CCHH)(CCHO)(H)2	114.2020	0.000	1	114.2020	0.000	1	115.7733	3.857	3	115.7733	3.857	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:2:4:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	N[5a]-3:O-2:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CCHO)(CH3)3	C(CN[5a]HO)(CC3)(OC)(H)	C(N[5a]C[5a]N[5a])(OC[6a])(CCHO)(H)	C(CCHO)(CH3)3	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:3:4:	4:1:1:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	C(CCCH)(H)3	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	C(CCCH)(H)3	113.5540	0.000	1	113.5540	0.000	1	113.5540	0.000	1	113.5540	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:C-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	113.1435	3.718	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:Se-2:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C(C[6a]C[6a]2)(CSeCH)(H)2	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	C(C[6a]C[6a]2)(CSeCH)(H)2	111.7800	0.000	1	111.7800	0.000	1	111.7800	0.000	1	113.1435	3.718	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(H)3	C(CC[6a]2H)(CH3)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(H)3	113.2190	0.564	3	113.2190	0.318	3	113.2190	0.318	3	113.0800	0.289	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CCHO)(H)3	C(CC[6a]N[5]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	C(CCHO)(H)3	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	113.0800	0.289	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]2H)(CHHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(OC)(H)2	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	114.0323	4.312	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(SC[3x6]Pd)(CCHO)(H)	C(CCHO)(OC)(H)2	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	114.0323	4.312	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N-3:N-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	C(CCHO)(OH)(H)2	C(CHHO)(CHNN)(OH)(H)	C(NC[5a]H)2(CCHO)(H)	C(CCHO)(OH)(H)2	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	114.0323	4.312	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]N[5a]H)(CHHO)(OH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHO)(H)	C(CCHO)(OC)(H)2	115.3880	0.000	1	115.3880	0.000	1	115.3880	0.000	1	114.0323	4.312	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:N-2:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(NCS)(H)2	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(NCS)(H)2	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	113.1460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C(CCHH)(CCHO)(CH3)(H)	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	115.4230	6.480	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(CH3)2(H)	C(CC[6a]2H)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCHO)(H)	C(CCHO)(CH3)2(H)	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	115.4230	6.480	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]2H)(CC3)(OZn)(H)	C(N[5]C[5]N[5])2(CCHO)(H)	C(CCHO)(CH3)3	C(CN[5]2H)(CC3)(OZn)(H)	C(N[5]C[5]N[5])2(CCHO)(H)	C(CCHO)(CH3)3	113.6700	0.000	1	113.6700	0.000	1	113.6700	0.000	1	114.6700	2.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	N[5a]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CCHO)(H)	C(CCHO)(CH3)3	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	114.6700	2.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:2:	3:4:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	112.8300	0.591	3	112.8300	0.350	3	112.8300	0.350	3	112.8300	0.350	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	C(CCHH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	C(CCHH)(CCHN)(H)2	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:2:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:O-2:H-1:	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	C(CC[6a]2O)(CCHO)(OH)(H)	C(CC[6a]2O)(CCHO)(OH)(H)	C(C[6a]C[6a]2)2(CCHO)(OH)	C(CC[6a]2O)(CCHO)(OH)(H)	113.0835	1.069	6	113.0835	1.144	6	113.0835	1.144	6	113.0835	1.144	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:3:4:2:	4:4:4:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:H-1:	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CCHN)(CH3)2(H)	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CCHN)(CH3)2(H)	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	C(CC[6a]HH)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	109.0810	7.527	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	109.0810	7.527	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	111.6570	0.000	1	111.6570	0.000	1	111.6570	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]H)(CCCH)(H)2	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]H)(CCCH)(H)2	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(N[5]C[5]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]HH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(N[5]C[5]2)(CCHO)(H)2	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OH)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	109.0970	0.000	1	109.0970	0.000	1	109.0970	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(N[5a]C[5a]N[5a])(CCHO)(H)2	112.9940	0.000	1	112.9940	0.000	1	110.6965	10.557	2	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(N[5a]N[5a]2)(CCHO)(H)2	C(CN[5a]HH)2(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(N[5a]N[5a]2)(CCHO)(H)2	108.3990	0.000	1	108.3990	0.000	1	110.6965	10.557	2	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(N[6]C[6]2)(CCHO)(H)2	113.7540	0.000	1	113.7540	0.000	1	113.7540	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(NC[6a]H)(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(NC[6a]H)(CCHO)(H)2	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	C(SC[6a]Pd)(CCHO)(H)2	C(CHHS)2(OH)(H)	C(SC[6a]Pd)(CCHO)(H)2	C(SC[6a]Pd)(CCHO)(H)2	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OC)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	114.6925	0.322	2	114.6925	0.104	2	114.0411	0.828	9	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	C(SeC[6a]Pd)(CCHO)(H)2	C(CSeHH)2(OH)(H)	C(SeC[6a]Pd)(CCHO)(H)2	C(SeC[6a]Pd)(CCHO)(H)2	114.3370	0.000	1	114.3370	0.000	1	114.0411	0.828	9	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OH)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	113.9158	1.187	4	113.9158	1.409	4	114.0411	0.828	9	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	C(CSeHH)2(OP)(H)	C(SeFe2)(CCHO)(H)2	C(SeFe2)(CCHO)(H)2	113.4925	0.831	2	113.4925	0.690	2	114.0411	0.828	9	112.6427	5.753	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	3:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]O)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]O)(CCHO)(OH)(H)	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CCHN)(H)3	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	C(CCHN)(H)3	109.6300	0.557	2	109.6300	0.310	2	109.6300	0.310	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(H)2	C(CCHO)(H)3	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OH)(H)	C(C[5]N[5]2)(CCHO)(H)2	C(CCHO)(H)3	111.0893	0.341	3	111.0893	0.117	3	111.0893	0.117	3	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CCHO)(Cl)3	C(CC[5a]HH)(CCl3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CCHO)(Cl)3	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OC)(H)	C(C[5a]C[5a]O[5a])(CCHO)(H)2	C(CCHO)(H)3	112.5700	0.000	1	112.5700	0.000	1	111.7587	0.658	9	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]2)(CCHO)(H)2	C(CCHO)(H)3	111.6392	0.940	6	111.6392	0.884	6	111.7587	0.658	9	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CCHO)(H)3	C(CC[5a]HH)(CH3)(OH)(H)	C(C[5a]N[5a]S[5a])(CCHO)(H)2	C(CCHO)(H)3	111.7115	0.316	2	111.7115	0.100	2	111.7587	0.658	9	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	C(CCHO)(Cl)3	C(CC[6a]HH)(CCl3)(OH)(H)	C(C[6a]N[6a]2)(CCHO)(H)2	C(CCHO)(Cl)3	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CCHO)(Cl)2(H)	C(CC[6a]HH)(CCl2H)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CCHO)(Cl)2(H)	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(H)3	113.2692	1.002	5	113.2692	1.003	5	112.8185	1.096	14	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(H)3	112.7959	1.003	7	112.7959	1.007	7	112.8185	1.096	14	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CCHO)(H)3	C(CC[6a]HH)(CH3)(OH)(H)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	C(CCHO)(H)3	111.7710	0.989	2	111.7710	0.977	2	112.8185	1.096	14	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(NC[5a]C[6a])(CCHO)(H)2	C(CCHO)(H)3	111.3290	0.000	1	111.3290	0.000	1	111.3685	0.003	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(NC[6]H)(CCHO)(H)2	C(CCHO)(H)3	111.4080	0.000	1	111.4080	0.000	1	111.3685	0.003	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CN[5]HH)(CClHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(H)3	C(CN[5]HH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(H)3	109.1980	0.000	1	109.1980	0.000	1	109.1980	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	111.8045	0.035	2	111.8045	0.001	2	109.7606	6.591	16	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a,6a]N[5a])(CCHO)(H)2	C(CCHO)(Cl)(H)2	108.8150	0.000	1	108.8150	0.000	1	109.7606	6.591	16	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CN[5a]HH)(CClHH)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(Cl)(H)2	109.5188	2.721	13	109.5188	7.404	13	109.7606	6.591	16	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(H)3	109.9890	1.216	2	109.9890	1.479	2	110.4758	0.362	10	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OC)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(H)3	111.0095	0.077	2	111.0095	0.006	2	110.4758	0.362	10	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]2)(CCHO)(H)2	C(CCHO)(H)3	110.3624	0.334	5	110.3624	0.111	5	110.4758	0.362	10	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHO)(H)3	C(CN[5a]HH)(CH3)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHO)(H)3	110.9490	0.000	1	110.9490	0.000	1	110.4758	0.362	10	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	C(CCHO)(H)3	C(CN[6]HH)(CH3)(OB)(H)	C(N[6]B[6]C[6])(CCHO)(H)2	C(CCHO)(H)3	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(Cl)3	C(CCl3)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(Cl)3	110.7485	0.033	2	110.7485	0.001	2	110.7485	0.001	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(Cl)(H)2	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)3	C(CHHS)(CF3)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)3	111.0333	0.810	3	111.0333	0.656	3	111.0333	0.656	3	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:F-1:F-1:H-1:	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)2(H)	C(CFFH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)2(H)	110.9310	2.645	2	110.9310	6.994	2	110.9310	6.994	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)(H)2	C(CFHH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(F)(H)2	112.0880	1.652	2	112.0880	2.728	2	112.0880	2.728	2	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	Se-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	C(CCHO)(Br)(H)2	C(CBrHH)(CSeHH)(OP)(H)	C(SeFe2)(CCHO)(H)2	C(CCHO)(Br)(H)2	112.5720	0.000	1	112.5720	0.000	1	112.5720	0.000	1	111.1333	3.118	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NC)(H)2	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CC[6a]HH)(CHHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(OC)(H)2	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	C(NC[6a]S)(CCHO)(H)2	C(CCHO)(OC)(H)2	111.5320	0.000	1	111.5320	0.000	1	113.1920	5.511	2	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	C(NC[6]S)(CCHO)(H)2	C(CCHO)(OC)(H)2	114.8520	0.000	1	114.8520	0.000	1	113.1920	5.511	2	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CCHO)(NC)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	C(N[5]C[5,6]C[5])(CCHO)(H)2	C(CCHO)(NC)(H)2	110.1045	0.115	2	110.1045	0.013	2	110.1045	0.013	2	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CN[5]HH)(CHHO)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(OC)(H)2	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	111.0474	4.283	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	C(CCHO)(CNO)(H)2	C(CCHH)2(OH)(H)	C(CC[5a]O)(CCHO)(H)2	C(CCHO)(CNO)(H)2	110.4740	0.000	1	110.4740	0.000	1	110.4740	0.000	1	110.4637	2.005	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CCH)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CCH)(H)2	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.4637	2.005	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(NCC)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(NCC)(H)2	111.0060	0.000	1	111.0060	0.000	1	110.9330	2.828	3	110.4637	2.005	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(NCH)(H)2	C(CC[6a]HH)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(NCH)(H)2	110.8965	2.377	2	110.8965	5.648	2	110.9330	2.828	3	110.4637	2.005	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(NCH)(H)2	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	110.4637	2.005	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CCO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CCO)(OH)(H)	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	114.6860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-2:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CC)(F)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CCCF)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(CC)(F)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CCCF)(CCHH)(H)2	112.1050	0.000	1	112.1050	0.000	1	112.1050	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CF3)(H)2	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CF3)(H)2	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CC[6a]O)(CCHO)(Br)(H)	C(CCHH)(CCHO)(H)2	115.9380	0.000	1	115.9380	0.000	1	115.9380	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a]ClH)(CCHH)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(Cl)(H)	C(CCHH)(CCHO)(H)2	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(Cl)(H)	C(CC[6a]HH)(CClCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(Cl)(H)	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHN)(CCHO)(H)2	113.7640	0.000	1	113.7640	0.000	1	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.8920	0.000	1	113.8920	0.000	1	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHN)(CCHO)(H)2	114.5823	0.956	6	114.5823	0.914	6	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[5a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[5a]HN)(CCHO)(H)2	113.4985	0.674	2	113.4985	0.454	2	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HN)(CCHO)(H)2	112.8493	1.061	3	112.8493	1.126	3	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CCHO)(CH3)(H)2	C(CC[6a]HH)(CCHH)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(H)2	C(CCHO)(CH3)(H)2	111.9055	0.360	2	111.9055	0.130	2	113.6337	1.482	15	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CN[5a]HH)(CCHH)(OH)(H)	C(N[5a]C[5a]N[5a])(CCHO)(H)2	C(CCHH)(CCHO)(H)2	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(SC)(H)	C(CC[6a]O)(CCHS)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(SC)(H)	C(CC[6a]O)(CCHS)(H)2	C(CCHH)(CCHS)(H)2	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:Se-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(SeC)(H)	C(N[5]C[5]2)(CSeCH)(H)2	C(CSeCH)(CF3)(H)2	C(CN[5]HH)(CCHH)(SeC)(H)	C(N[5]C[5]2)(CSeCH)(H)2	C(CSeCH)(CF3)(H)2	108.7190	0.283	2	108.7190	0.080	2	108.7190	0.080	2	112.9574	3.758	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	C(CCCH)(CC3)(OC)(H)	109.5190	2.649	2	109.5190	7.016	2	109.5190	7.016	2	111.2391	8.064	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	115.1050	0.000	1	115.1050	0.000	1	111.8125	8.308	6	111.2391	8.064	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CClCH)(CCHO)(OH)(H)	109.9730	0.461	4	109.9730	0.212	4	111.8125	8.308	6	111.2391	8.064	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)2(OC)(H)	115.8780	0.000	1	115.8780	0.000	1	111.8125	8.308	6	111.2391	8.064	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)(CNO)(H)	C(CN[5]HH)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)(CNO)(H)	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	111.5302	2.272	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(CH3)2(H)	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)(CH3)2(H)	110.4115	0.162	2	110.4115	0.026	2	110.8930	0.322	4	111.5302	2.272	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	C(SC[6a]O)(CCHO)(H)2	C(CCHO)2(CH3)(H)	111.3745	0.117	2	111.3745	0.014	2	110.8930	0.322	4	111.5302	2.272	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C(CCHO)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(OH)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(H)2	C(CCHO)(CH3)2(OH)	113.5535	0.351	2	113.5535	0.124	2	113.5535	0.124	2	113.5535	0.124	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)3	C(CN[5]HH)(CC3)(OB)(H)	C(N[5]C[5]2)(CCHO)(H)2	C(CCHO)(CH3)3	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	114.2925	0.595	2	114.2925	0.354	2	114.2925	0.354	2	114.2925	0.354	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	3:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	N-3:C-4:C-4:H-1:	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	C(CC[6a]HO)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(NC[6a]H)(CCHH)(CCHO)(H)	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CCHN)(H)3	111.7670	0.017	2	111.7670	0.000	2	111.7670	0.000	2	112.8296	1.516	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	112.0020	0.000	2	112.0020	0.000	2	112.0020	0.000	2	112.8296	1.516	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	C(CC[6a]HO)(CClHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	112.7560	0.689	2	112.7560	0.474	2	112.7560	0.474	2	112.8296	1.516	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	114.7315	1.414	2	114.7315	1.998	2	113.8115	1.892	4	112.8296	1.516	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[6a]HO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)(H)3	112.8915	0.540	2	112.8915	0.291	2	113.8115	1.892	4	112.8296	1.516	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	111.5645	0.585	2	111.5645	0.342	2	111.5645	0.342	2	112.4620	1.030	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.4620	1.030	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CC[6a]HO)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	113.4830	0.148	2	113.4830	0.022	2	113.4830	0.022	2	112.4620	1.030	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)2(F)2	C(CC[6a]HO)(CCFF)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(OC)(H)	C(CCHO)2(F)2	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	112.7370	5.275	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(CCHP)(H)2	C(CC[6a]HO)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CCHO)(CCHP)(H)2	111.1130	0.000	1	111.1130	0.000	1	111.1130	0.000	1	112.7370	5.275	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]2)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.5148	0.586	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	C(C[5a]N[5a,6]N[5a])(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	113.5148	0.586	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	C(C[6a]C[6a]N[6a])(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	112.8680	0.175	2	112.8680	0.031	2	112.8680	0.031	2	113.5148	0.586	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:N-2:H-1:	C-3:C-4:N-2:H-1:	C-4:C-4:C-4:Cl-1:	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	C(CCHN)(CH3)2(Cl)	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	113.5805	6.886	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:S-2:H-1:	C-4:C-4:C-4:H-1:	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C(CCHO)(CH3)2(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C(CCHO)(CH3)2(H)	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	113.5805	6.886	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OC)(H)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CCHO)(CH3)3	117.0710	0.000	1	117.0710	0.000	1	116.2810	1.248	2	116.2810	1.248	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CCHO)(CH3)3	115.4910	0.000	1	115.4910	0.000	1	116.2810	1.248	2	116.2810	1.248	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CN[5]CH)(OH)(H)	C(N[5]C[5]2)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	110.9965	2.101	2	110.9965	4.413	2	110.9965	4.413	2	110.9965	4.413	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	3:4:2:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(OH)(H)	112.3090	1.052	2	112.3090	1.107	2	112.3090	1.107	2	112.3090	1.107	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	C(CCHN)(H)3	111.8765	0.456	2	111.8765	0.208	2	111.8765	0.208	2	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	N-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(F)3	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(F)3	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CN[5]O)(CCHO)(CCH)(H)	C(CCHO)(H)3	111.8280	0.102	2	111.8280	0.010	2	111.8280	0.010	2	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHO)(H)3	112.5700	0.000	1	112.5700	0.000	1	111.6630	1.645	2	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OP)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHO)(H)3	110.7560	0.000	1	110.7560	0.000	1	111.6630	1.645	2	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHO)(H)3	C(CC[6a]HN)(CH3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHO)(H)3	113.3230	2.312	3	113.3230	5.344	3	113.3230	5.344	3	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHO)(H)3	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OH)(H)	C(N[5]C[5]2)(CCHO)(COO)(H)	C(CCHO)(H)3	112.5180	0.444	2	112.5180	0.197	2	112.5180	0.197	2	112.3691	1.472	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:S-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C(CCHO)(OC)(H)2	C(CC[6a]HS)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(CCHO)(SPdC)(H)	C(CCHO)(OC)(H)2	110.1730	0.803	4	110.1730	0.644	4	110.1730	0.644	4	110.1730	0.644	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	Si-4:C-4:H-1:H-1:	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	114.6920	0.000	1	114.6920	0.000	1	114.6920	0.000	1	113.5701	0.988	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)(F)(H)	C(CC[6a]HN)(CCFH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)(F)(H)	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	113.5701	0.988	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHH)(CCHO)(H)2	113.9840	0.143	4	113.9840	0.021	4	113.5878	0.800	5	113.5701	0.988	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHO)(CH3)(H)2	C(CC[6a]HN)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NHS)(H)	C(CCHO)(CH3)(H)2	112.0030	0.000	1	112.0030	0.000	1	113.5878	0.800	5	113.5701	0.988	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	B[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	C(CCHO)(CH3)2(H)	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	C(CCHO)(CH3)2(H)	113.6810	0.000	1	113.6810	0.000	1	113.6810	0.000	1	114.0287	0.561	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:F-1:	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)2(F)	C(CC[6a]HN)(CCCF)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)2(F)	113.2410	0.000	2	113.2410	0.000	2	113.2410	0.000	2	114.0287	0.561	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OH)(H)	C(NC[6a]H)(CCHO)(COO)(H)	C(CCHO)(CH3)2(H)	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	114.0287	0.561	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CCHO)(CH3)2(H)	C(CN[5]CH)(CCCH)(OC)(H)	C(N[5]C[5]2)(CCHO)(CNO)(H)	C(CCHO)(CH3)2(H)	114.5405	0.333	2	114.5405	0.111	2	114.5405	0.111	2	114.0287	0.561	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)2(OH)	C(CC[6a]HN)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCC)(H)	C(CCHO)(CH3)2(OH)	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)(H)	C(CCHO)(CH3)3	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	116.2287	0.876	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CCHO)(CH3)3	C(CC[6a]HN)(CC3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	C(CCHO)(CH3)3	115.7150	0.412	2	115.7150	0.169	2	115.7150	0.169	2	116.2287	0.876	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C(CCHO)(H)3	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	C(CCHO)(H)3	111.9890	0.000	1	111.9890	0.000	1	111.5593	0.165	3	111.5593	0.165	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:3:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CCHO)(H)3	C(CC[6a]CO)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CCHO)(H)3	111.3445	0.228	2	111.3445	0.052	2	111.5593	0.165	3	111.5593	0.165	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCCH)(OC)(H)	C(CC[6a]O)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	113.6350	0.399	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2)(CCHO)(CH3)(H)	C(C[5]C[5]2)(CCHO)(H)2	113.9845	0.254	2	113.9845	0.064	2	113.9845	0.064	2	113.6350	0.399	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C(CCHO)(H)3	111.8310	0.000	1	111.8310	0.000	1	111.8310	0.000	1	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)(F)3	C(CC[6a]CH)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)(F)3	114.8330	0.000	1	114.8330	0.000	1	113.8277	0.763	3	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CCHO)(F)3	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHO)(H)	C(CCHO)(F)3	113.3920	0.000	1	113.3920	0.000	1	113.8277	0.763	3	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CCHO)(F)3	C(CC[6a]CH)(CF3)(OH)(H)	C(C[6a]C[6a]N[6a])(CCHO)(CH3)(H)	C(CCHO)(F)3	113.2580	0.000	1	113.2580	0.000	1	113.8277	0.763	3	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(CCHO)(H)3	C(CC[6a]CH)(CH3)(OH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	C(CCHO)(H)3	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C(CCHO)(H)3	C(CC[6a]C[6]H)(CH3)(OH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CCHO)(H)	C(CCHO)(H)3	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CCHO)(H)3	C(CN[5]CH)(CH3)(OC)(H)	C(N[5]C[5]2)(CCHO)(CHHO)(H)	C(CCHO)(H)3	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	113.0331	0.924	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCHO)(OC)(H)2	112.3830	0.000	1	112.3830	0.000	1	113.4825	0.641	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	C(CN[5]O)(CCHH)(CCHO)(H)	C(CCHO)(OC)(H)2	113.6675	0.339	2	113.6675	0.115	2	113.4825	0.641	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OSi)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCHO)(OC)(H)2	114.2120	0.000	1	114.2120	0.000	1	113.4825	0.641	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CCHO)(OC)(H)2	111.5160	0.989	2	111.5160	0.977	2	112.0487	2.576	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OH)(H)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CCHO)(OC)(H)2	110.9060	0.000	1	110.9060	0.000	1	112.0487	2.576	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C(CCHO)(OC)(H)2	C(CC[6a]HP)(CHHO)(OP)(H)	C(C[6a]C[6a]2)(PC[6a]2Ir)(CCHO)(H)	C(CCHO)(OC)(H)2	114.2570	0.000	1	114.2570	0.000	1	112.0487	2.576	4	112.7656	1.966	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CC[3]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	113.8600	0.000	1	113.8600	0.000	1	114.0320	3.965	5	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)2(H)2	111.2660	0.000	1	111.2660	0.000	1	114.0320	3.965	5	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCHO)(H)2	116.3980	0.000	1	116.3980	0.000	1	114.0320	3.965	5	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CC[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	115.4180	0.000	1	115.4180	0.000	1	114.0320	3.965	5	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	113.2180	0.000	1	113.2180	0.000	1	114.0320	3.965	5	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OC)(H)	C(C[5]C[5]2)(CC[5]HH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	114.7490	0.000	1	114.7490	0.000	1	114.7490	0.000	1	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(H)2	C(CC[6]CH)(CCHH)(OH)(H)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C(CCHO)(CH3)(H)2	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	115.2630	0.000	1	115.2630	0.000	1	114.6995	0.635	2	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCCO)(CCHO)(H)2	C(CC[6a]CH)(CCHH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCCO)(CCHO)(H)2	114.1360	0.000	1	114.1360	0.000	1	114.6995	0.635	2	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(C[5]O[5]2H)(CCHO)(H)2	C(CC[6a]CH)(CC[5]HH)(OH)(H)	C(C[6a]C[6a]2)(CC[5]HH)(CCHO)(H)	C(C[5]O[5]2H)(CCHO)(H)2	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	C[6a]-3:C-4:C-4:F-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CF)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C(CCHS)(CH3)(H)2	C(CC[6a]CF)(CCHH)(SC)(H)	C(C[6a]C[6a]2)(CCHS)(CH3)(F)	C(CCHS)(CH3)(H)2	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	113.6734	2.936	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(CC[5a]CH)(CCHO)(OH)(H)	C(C[5a]C[5a]2)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCHO)(OC)(H)	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCC)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCC)(H)	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	112.5550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	113.4800	0.000	1	113.4800	0.000	1	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	114.5000	0.000	1	114.5000	0.000	1	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	113.1850	0.000	1	113.1850	0.000	1	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CN[5]O)(CCHO)(CHHN)(H)	C(CCHO)(CH3)2(H)	115.0330	0.000	1	115.0330	0.000	1	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CN[6]O)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	113.6390	0.704	2	113.6390	0.496	2	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	C(CN[5]O)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	114.6470	0.000	2	114.6470	0.000	2	114.0962	0.539	8	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	113.6550	0.000	1	113.6550	0.000	1	113.5420	0.026	2	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CCHO)(CH3)2(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CHHN)(H)	C(CCHO)(CH3)2(H)	113.4290	0.000	1	113.4290	0.000	1	113.5420	0.026	2	113.9854	0.477	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:2:	3:4:4:2:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C-4:C-4:O-2:	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(OH)	118.7973	0.548	3	118.7973	0.300	3	118.7973	0.300	3	118.7973	0.300	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[4]-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C(CCHO)(NCC)(H)2	C(CC[6a]C[4]O)(CHHN)(OH)(H)	C(C[6a]C[6a]2)(C[4]C[4]2H)(CCHO)(OH)	C(CCHO)(NCC)(H)2	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	C(CCHO)(F)3	C(CC[6a]CC)(CF3)(OC)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(CCH)	C(CCHO)(F)3	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:4:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OSi)(H)	C(CC[6]O)(CCHO)(CH3)2	C(CCHO)(COO)(H)2	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OH)(H)	C(CC[5]O)(CCHO)(CH3)2	C(CC[5]HH)(CCHO)(H)2	117.4170	0.197	2	117.4170	0.039	2	117.4170	0.039	2	116.4982	1.594	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CCHH)(CCHO)(H)2	C(CC[6a]CC)(CCHH)(OH)(H)	C(C[6a]C[6a]2)(CCHH)(CCHO)(CHHN)	C(CCHH)(CCHO)(H)2	115.5795	1.169	2	115.5795	1.366	2	115.5795	1.366	2	116.4982	1.594	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CC)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CC)(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.3940	0.000	2	109.3940	0.000	2	111.8307	4.066	6	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	113.0490	0.917	4	113.0490	0.840	4	111.8307	4.066	6	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CC)(O)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CC)(O)	C(CCCO)(H)3	C(CCCO)(H)3	112.3575	0.930	2	112.3575	0.865	2	112.3575	0.865	2	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1903	1.100	86	111.1903	1.210	86	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NMo)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NMo)(H)	C(CCHN)(H)3	C(CCHN)(H)3	121.1605	0.111	4	121.1605	0.012	4	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.0270	0.000	1	112.0270	0.000	1	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1665	0.719	11	111.1665	0.518	11	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NPt)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NPt)(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.2400	0.000	1	113.2400	0.000	1	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NW)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NW)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.4640	0.000	1	112.4640	0.000	1	111.6112	4.794	104	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	C(CCHN)(H)3	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	C(CCHN)(H)3	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OC)(C)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(OC)(C)	C(CCCO)(H)3	C(CCCO)(H)3	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(H)3	C(CClHH)(CH3)(OH)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(H)3	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OB)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OB)(H)	C(CCHO)(F)3	C(CCHO)(F)3	113.1612	1.204	8	113.1612	1.449	8	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OBi)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OBi)(H)	C(CCHO)(F)3	C(CCHO)(F)3	112.0172	0.718	5	112.0172	0.515	5	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OC)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OC)(H)	C(CCHO)(F)3	C(CCHO)(F)3	113.1790	1.002	12	113.1790	1.003	12	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OH)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OH)(H)	C(CCHO)(F)3	C(CCHO)(F)3	113.2099	0.857	23	113.2099	0.734	23	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(ONb)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(ONb)(H)	C(CCHO)(F)3	C(CCHO)(F)3	112.2315	0.650	2	112.2315	0.422	2	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OP)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OP)(H)	C(CCHO)(F)3	C(CCHO)(F)3	113.5418	1.003	20	113.5418	1.006	20	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OZn)(H)	C(CCHO)(F)3	C(CCHO)(F)3	C(CF3)2(OZn)(H)	C(CCHO)(F)3	C(CCHO)(F)3	111.9750	0.342	2	111.9750	0.117	2	113.1472	1.029	72	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	C(CCHO)(F)(H)2	C(CFHH)2(OC)(H)	C(CCHO)(F)(H)2	C(CCHO)(F)(H)2	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OAl)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OAl)(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.8014	2.340	22	111.8014	5.474	22	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OB)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OB)(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.2717	0.255	3	111.2717	0.065	3	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OC)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OC)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.4041	1.445	359	113.4041	2.088	359	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OGe)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OGe)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.3650	0.000	1	113.3650	0.000	1	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OH)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OH)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.7524	3.882	132	113.7524	15.071	132	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OMo)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OMo)(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.1933	1.040	19	112.1933	1.083	19	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(ON)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(ON)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.1540	0.236	2	113.1540	0.056	2	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(ONb)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(ONb)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.0460	0.170	2	113.0460	0.029	2	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OP)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OP)(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.9824	1.622	365	112.9824	2.630	365	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OPb)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OPb)(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.2170	0.000	1	111.2170	0.000	1	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(ORe)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(ORe)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.8920	1.004	3	113.8920	1.008	3	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OSi)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OSi)(H)	C(CCHO)(H)3	C(CCHO)(H)3	112.1970	0.675	5	112.1970	0.456	5	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OSn)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OSn)(H)	C(CCHO)(H)3	C(CCHO)(H)3	114.1527	6.266	3	114.1527	39.264	3	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OTa)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OTa)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.7280	0.000	1	113.7280	0.000	1	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OTi)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OTi)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.3590	3.659	27	113.3590	13.391	27	113.2144	4.666	945	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OH)(O)	C(CCOO)(F)3	C(CCOO)(F)3	C(CF3)2(OH)(O)	C(CCOO)(F)3	C(CCOO)(F)3	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SB)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SB)(H)	C(CCHS)(H)3	C(CCHS)(H)3	110.7400	0.000	1	110.7400	0.000	1	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SC)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SC)(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.5373	0.863	6	111.5373	0.745	6	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SFe)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SFe)(H)	C(CCHS)(H)3	C(CCHS)(H)3	118.4435	6.332	2	118.4435	40.096	2	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SIr)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SIr)(H)	C(CCHS)(H)3	C(CCHS)(H)3	113.0220	1.260	2	113.0220	1.588	2	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SMo)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SMo)(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.5675	0.274	2	111.5675	0.075	2	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SP)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SP)(H)	C(CCHS)(H)3	C(CCHS)(H)3	109.9950	0.000	1	109.9950	0.000	1	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SW)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SW)(H)	C(CCHS)(H)3	C(CCHS)(H)3	111.6290	0.000	1	111.6290	0.000	1	112.5103	9.579	15	113.0404	4.707	1149	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(NC)(H)2	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(NC)(H)2	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	112.3995	0.254	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(SC)(H)2	C(CClHH)(CHHS)(OC)(H)	C(CCHO)(Cl)(H)2	C(CCHO)(SC)(H)2	112.0430	0.000	1	112.0430	0.000	1	112.0430	0.000	1	112.3995	0.254	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(Cl)(H)2	C(CCHO)2(OC)(H)	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	C(CCHN)(H)3	110.2827	0.288	4	110.2827	0.083	4	110.2827	0.083	4	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	110.1660	0.000	1	110.1660	0.000	1	110.1660	0.000	1	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NC)(H)2	C(CCHO)(H)3	112.2107	0.004	3	112.2107	0.000	3	112.2107	0.000	3	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(H)3	C(CHHO)(CH3)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(H)3	113.2818	2.194	6	113.2818	4.812	6	113.2818	4.812	6	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(H)2(O)	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(H)2(O)	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(SRe)(H)2	C(CCHO)(H)3	C(CHHS)(CH3)(ORe)(H)	C(CCHO)(SRe)(H)2	C(CCHO)(H)3	112.1005	0.244	2	112.1005	0.060	2	112.1005	0.060	2	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:Se-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	C(CCHO)(H)3	C(CSeHH)(CH3)(OP)(H)	C(CCHO)(SeC)(H)2	C(CCHO)(H)3	113.5710	1.701	2	113.5710	2.894	2	113.5710	2.894	2	112.5674	6.242	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NC)(H)2	C(CCHO)(NC)(H)2	111.9610	1.093	6	111.9610	1.194	6	112.3557	2.086	7	112.4908	1.934	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	C(CCHO)(NPt)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NPt)(H)2	C(CCHO)(NPt)(H)2	114.7240	0.000	1	114.7240	0.000	1	112.3557	2.086	7	112.4908	1.934	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(OH)(H)2	C(CHHO)2(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(OH)(H)2	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	112.4908	1.934	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(F)2	C(CCFF)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(F)2	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OC)(H)	113.9559	2.073	16	113.9559	4.299	16	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OH)(H)	113.8900	0.000	1	113.8900	0.000	1	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)2(OH)(H)	111.6579	0.943	8	111.6579	0.890	8	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OSi)(H)2	C(CCHO)2(OH)(H)	112.8810	0.000	1	112.8810	0.000	1	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OC)(H)	111.6320	0.000	1	111.6320	0.000	1	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OC)(H)2	C(CCHO)2(OH)(H)	112.5697	2.124	4	112.5697	4.511	4	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)2(OH)(H)	111.5468	1.232	63	111.5468	1.517	63	112.0499	2.784	94	112.0499	2.784	94	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)(OSi)(H)2	C(CCHO)2(CH3)(H)	113.6985	0.134	2	113.6985	0.018	2	113.6985	0.018	2	113.6985	0.018	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:1:1:	4:4:4:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	C(CCHN)(CH3)3	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	C(CCHN)(CH3)3	115.3140	3.029	5	115.3140	9.173	5	115.3140	9.173	5	115.3140	9.173	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)(OH)(H)	C(CCHO)(H)3	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:2:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)(OC)(H)	C(CCHO)(NCC)(H)2	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	113.4030	1.027	13	113.4030	1.054	13	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CCO)(H)2	C(CCHO)(H)3	110.9960	0.013	2	110.9960	0.000	2	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHO)(COO)(H)2	C(CCHO)(H)3	113.0756	1.009	5	113.0756	1.018	5	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(H)3	111.4480	0.000	1	111.4480	0.000	1	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(H)3	110.1030	0.000	1	110.1030	0.000	1	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(ON)(H)	C(CCHO)(CNO)(H)2	C(CCHO)(H)3	112.0465	0.974	2	112.0465	0.948	2	112.8022	1.718	24	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OC)(H)	C(CCHO)(NHS)(H)2	C(CCHO)(Cl)(H)2	112.8550	0.000	1	112.8550	0.000	1	112.8550	0.000	1	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OGa)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	110.2597	0.204	4	110.2597	0.041	4	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	110.7427	1.055	3	110.7427	1.113	3	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(H)3	111.0203	1.060	4	111.0203	1.123	4	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(NMoC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OMo)(H)	C(CCHO)(NMoC)(H)2	C(CCHO)(H)3	112.4160	0.511	2	112.4160	0.261	2	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	112.8600	1.932	2	112.8600	3.732	2	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OP)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(H)3	112.1450	0.621	2	112.1450	0.385	2	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OSi)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(H)3	117.0568	5.653	5	117.0568	31.957	5	112.6125	13.338	22	112.7145	6.958	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:S-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	C(CCHN)(OH)(H)2	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	C(CCHN)(OH)(H)2	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(OSi)(H)2	C(CCHH)(CHHO)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(OSi)(H)2	111.8440	0.000	1	111.8440	0.000	1	111.8440	0.000	1	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NC)(H)2	110.1050	0.000	1	110.1050	0.000	1	110.1050	0.000	1	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NFeC)(H)2	C(CCHO)(OC)(H)2	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OGa)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(SC)(H)2	111.1543	1.342	3	111.1543	1.801	3	110.2815	4.248	4	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	C(CCHO)(SC)(H)2	C(CHHN)(CHHS)(OH)(H)	C(CCHO)(NCN)(H)2	C(CCHO)(SC)(H)2	107.6630	0.000	1	107.6630	0.000	1	110.2815	4.248	4	110.7749	2.715	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(CCH)(H)2	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(CCH)(H)2	115.5120	0.000	1	115.5120	0.000	1	114.3630	2.640	2	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	C(CCHO)(CNO)(H)2	C(CCHH)2(ON)(H)	C(CCHO)(CCC)(H)2	C(CCHO)(CNO)(H)2	113.2140	0.000	1	113.2140	0.000	1	114.3630	2.640	2	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NCH)(H)2	110.5905	1.583	4	110.5905	2.505	4	110.5905	2.505	4	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)(NCC)(H)2	111.1825	0.428	2	111.1825	0.183	2	112.5585	3.091	17	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NCH)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NCH)(H)2	112.1363	1.884	9	112.1363	3.549	9	112.5585	3.091	17	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	C(CCHO)(NMnC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NMnC)(H)2	C(CCHO)(NMnC)(H)2	113.7620	0.221	2	113.7620	0.049	2	112.5585	3.091	17	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	C(CCHO)(NNiC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NNiC)(H)2	C(CCHO)(NNiC)(H)2	113.5948	1.657	4	113.5948	2.747	4	112.5585	3.091	17	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	C(CHHS)2(OC)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	114.3092	0.887	10	114.3092	0.786	10	114.3531	0.643	14	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	C(CHHS)2(OH)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	114.6930	0.000	1	114.6930	0.000	1	114.3531	0.643	14	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	C(CHHS)2(OP)(H)	C(CCHO)(SFe2)(H)2	C(CCHO)(SFe2)(H)2	114.3863	0.758	3	114.3863	0.574	3	114.3531	0.643	14	113.1224	3.425	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(H)2	116.3950	0.000	1	116.3950	0.000	1	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(H)2	112.0960	0.000	1	112.0960	0.000	1	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(H)2	111.9280	2.382	2	111.9280	5.672	2	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)2(H)2	111.9020	0.000	1	111.9020	0.000	1	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(H)2	C(CCHH)2(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(H)2	111.0110	0.000	1	111.0110	0.000	1	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	C(CCHO)2(H)2	C(CCHH)2(OSi)(H)	C(CCHO)(CHN)(H)2	C(CCHO)2(H)2	109.5530	0.000	1	109.5530	0.000	1	112.1161	5.315	7	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OC)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	108.0555	0.837	2	108.0555	0.700	2	109.3070	7.151	4	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	107.8670	0.000	1	107.8670	0.000	1	109.3070	7.151	4	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	C(CCHH)(CHHN)(OP)(H)	C(CCHO)(COO)(H)2	C(CCHO)(NC3)(H)2	113.2500	0.000	1	113.2500	0.000	1	109.3070	7.151	4	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NH3)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)(NH3)(H)2	110.2930	0.000	1	110.2930	0.000	1	110.2930	0.000	1	111.0278	6.729	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(OC)(H)	114.8360	0.000	1	114.8360	0.000	1	114.6227	2.201	4	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(OH)(H)	115.2785	1.836	2	115.2785	3.372	2	114.6227	2.201	4	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)2(OC)(H)	113.0980	0.000	1	113.0980	0.000	1	114.6227	2.201	4	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(NCC)(H)2	C(CCHO)2(OC)(H)	111.3810	0.000	1	111.3810	0.000	1	114.1541	6.278	8	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCC)(H)2	C(CCHO)2(OH)(H)	116.3203	1.185	4	116.3203	1.404	4	114.1541	6.278	8	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCH)(H)2	C(CCHO)2(OH)(H)	112.1903	0.924	3	112.1903	0.853	3	114.1541	6.278	8	114.3103	4.648	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	115.2330	0.000	1	115.2330	0.000	1	115.2949	0.977	9	115.2319	0.908	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	114.6970	0.000	1	114.6970	0.000	1	115.2949	0.977	9	115.2319	0.908	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)(H)	115.3891	1.110	7	115.3891	1.232	7	115.2949	0.977	9	115.2319	0.908	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)(SCO)(H)2	C(CCHO)2(CH3)(H)	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	115.2319	0.908	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHO)(CH3)3	115.1185	0.554	2	115.1185	0.307	2	114.5460	1.137	3	114.5460	1.137	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CCH)(H)2	C(CCHO)2(CH3)2	113.4010	0.000	1	113.4010	0.000	1	114.5460	1.137	3	114.5460	1.137	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(H)3	114.3623	0.686	3	114.3623	0.471	3	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(H)3	112.7168	1.518	5	112.7168	2.306	5	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OC)(H)	C(CCHO)(H)3	112.4430	0.000	1	112.4430	0.000	1	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(H)3	113.5140	0.055	2	113.5140	0.003	2	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(H)3	112.7910	0.000	1	112.7910	0.000	1	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(H)3	112.2650	0.000	1	112.2650	0.000	1	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(OSi)(H)	C(CCHO)(H)3	113.1895	0.508	2	113.1895	0.258	2	113.1718	1.246	15	113.1718	1.246	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(OH)(H)2	111.0225	1.684	2	111.0225	2.835	2	111.0225	2.835	2	111.0225	2.835	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	C(CCHO)(NCC)(H)2	C(CCHN)(CHHN)(OS)(H)	C(CCHO)(CCH)(NN)(H)	C(CCHO)(NCC)(H)2	114.9770	0.000	1	114.9770	0.000	1	114.9770	0.000	1	115.6793	3.111	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)(CCH)(H)2	114.3750	0.000	1	114.3750	0.000	1	116.0305	5.481	2	115.6793	3.111	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)(CCH)(H)2	117.6860	0.000	1	117.6860	0.000	1	116.0305	5.481	2	115.6793	3.111	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHH)(CCHO)(H)2	115.3305	0.282	2	115.3305	0.080	2	113.9086	2.672	5	113.9086	2.672	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(H)2	111.4020	0.000	1	111.4020	0.000	1	113.9086	2.672	5	113.9086	2.672	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(H)2	114.0750	0.000	1	114.0750	0.000	1	113.9086	2.672	5	113.9086	2.672	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(H)2	113.4050	0.000	1	113.4050	0.000	1	113.9086	2.672	5	113.9086	2.672	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(COO)(OC)(H)	C(CCHO)2(OC)(H)	111.7570	0.000	1	111.7570	0.000	1	113.0819	1.511	15	113.0819	1.511	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)(CH3)(OC)(H)	114.4780	0.000	1	114.4780	0.000	1	113.0819	1.511	15	113.0819	1.511	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHN)(OH)(H)	C(CCHO)2(OH)(H)	112.3030	0.000	1	112.3030	0.000	1	113.0819	1.511	15	113.0819	1.511	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CNO)(OH)(H)	C(CCHO)2(OH)(H)	113.6724	1.130	8	113.6724	1.276	8	113.0819	1.511	15	113.0819	1.511	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHO)2(OH)(H)	112.0777	0.602	4	112.0777	0.362	4	113.0819	1.511	15	113.0819	1.511	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-2:Cl-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(CNO)(NHS)(H)	C(CClCC)(H)3	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(CNO)(NHS)(H)	C(CClCC)(H)3	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	113.2853	1.615	3	113.2853	2.609	3	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHO)(H)3	114.1805	0.947	2	114.1805	0.896	2	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OC)(H)	C(CCHO)(COO)(NCS)(H)	C(CCHO)(H)3	108.4070	0.317	2	108.4070	0.100	2	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	112.6310	0.000	1	112.6310	0.000	1	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(H)	C(CCHO)(H)3	112.5594	0.683	13	112.5594	0.466	13	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(COO)(NHS)(H)	C(CCHO)(H)3	111.8700	0.000	1	111.8700	0.000	1	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OS)(H)	C(CCHO)(CNO)(NCH)(H)	C(CCHO)(H)3	114.0880	0.124	2	114.0880	0.015	2	112.5408	2.534	24	112.5779	2.463	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)(CCH)(NCH)(H)	C(CCHO)(CH3)(CNO)(H)	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:S-2:	C-4:H-1:H-1:H-1:	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	C(CCHO)(H)3	C(CCNS)(CH3)(OH)(H)	C(CCHO)(COO)(NCH)(SC)	C(CCHO)(H)3	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	112.0040	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:N-3:C-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OSi)(H)	C(CCHO)(CCO)(NHS)(CC)	C(CCHO)(CHHO)(H)2	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:3:3:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-3:C-3:N-3:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	C(CCHO)(CH3)2(H)	C(CCCH)(CCCN)(OSi)(H)	C(CCHO)(CCO)(COO)(NCC)	C(CCHO)(CH3)2(H)	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CN[5]CH)(CN[5]O)(CCHO)(H)	C(CCHO)(H)3	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	114.9960	1.794	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C(CCHO)(H)3	C(CC[6a]C[5]H)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C(CCHO)(H)3	114.0490	0.000	1	114.0490	0.000	1	114.0490	0.000	1	114.9960	1.794	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(OC[6a])(CCHO)(H)2	109.5189	0.253	7	109.5189	0.064	7	109.5189	0.064	7	109.5189	0.064	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	2:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCHO)(CH3)2	114.6050	0.000	1	114.6050	0.000	1	114.7877	1.894	6	114.7877	1.894	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	2:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	O-2:C-4:C-4:C-4:	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCHO)(CH3)2	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(OC[6])(CCHO)(CH3)2	114.8242	1.535	5	114.8242	2.357	5	114.7877	1.894	6	114.7877	1.894	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	S-3:C-4:H-1:H-1:	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OH)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]O)(CCHO)(H)2	114.0030	0.000	1	114.0030	0.000	1	114.3170	0.197	2	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	S-3:C-4:H-1:H-1:	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]O)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]O)(CCHO)(H)2	114.6310	0.000	1	114.6310	0.000	1	114.3170	0.197	2	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(CC[6]O)(CCHO)(H)2	115.5400	0.000	1	115.5400	0.000	1	115.2070	0.222	2	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CC[6]O)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CC[6]O)(CCHO)(H)2	114.8740	0.000	1	114.8740	0.000	1	115.2070	0.222	2	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(C[6a]C[6a]2)(CCHO)(H)2	112.5890	0.926	2	112.5890	0.858	2	112.5890	0.858	2	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(N[6a]C[6a]2)(CCHO)(H)2	113.0560	0.000	1	113.0560	0.000	1	113.0560	0.000	1	113.8974	1.532	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	110.1400	0.000	2	110.1400	0.000	2	110.1400	0.000	2	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	C(CCCH)(H)3	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(Cl)(H)2	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(Cl)(H)2	110.4885	1.370	2	110.4885	1.876	2	110.4885	1.876	2	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(H)3	C(CClCH)(CH3)(OS)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(H)3	114.3252	1.163	4	114.3252	1.353	4	114.3252	1.353	4	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(Br)(H)2	C(CBrHH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(Br)(H)2	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CCHH)(OC)(H)	C(CC[6a]SiH)(CCHO)(H)2	C(CCHO)(Cl)(H)2	114.2670	0.000	1	114.2670	0.000	1	114.2670	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(F)3	C(CCHH)(CF3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(F)3	111.2800	0.000	1	111.2800	0.000	1	110.9063	0.125	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	C(CCHO)(F)3	C(CCHH)(CF3)(OH)(H)	C(CCHO)2(H)2	C(CCHO)(F)3	110.7195	0.200	2	110.7195	0.040	2	110.9063	0.125	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	113.9317	1.470	32	113.9317	2.161	32	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	113.1902	0.624	5	113.1902	0.389	5	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	113.3664	1.893	25	113.3664	3.585	25	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(H)3	113.9025	2.543	2	113.9025	6.469	2	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CC[5a]HH)(CCHO)(H)2	C(CCHO)(H)3	112.7050	0.000	1	112.7050	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(H)3	111.8910	0.000	1	111.8910	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CC[6a]SiO)(CCHO)(H)2	C(CCHO)(H)3	112.0760	0.000	1	112.0760	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OC)(H)	C(CClCH)(CCHO)(H)2	C(CCHO)(H)3	113.6930	0.000	1	113.6930	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	113.0172	1.373	16	113.0172	1.885	16	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(H)3	114.0679	6.606	15	114.0679	43.640	15	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	112.0250	0.191	2	112.0250	0.036	2	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	111.5475	0.422	4	111.5475	0.178	4	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(H)3	113.1040	0.345	2	113.1040	0.119	2	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CC[5]HO)(CCHO)(H)2	C(CCHO)(H)3	111.7090	0.000	1	111.7090	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)(H)3	112.0230	0.000	1	112.0230	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(H)2	C(CCHO)(H)3	112.8230	0.000	1	112.8230	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OS)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(H)3	114.5140	0.935	2	114.5140	0.874	2	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OS)(H)	C(CCHO)(CHHO)(H)2	C(CCHO)(H)3	112.0660	0.000	1	112.0660	0.000	1	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	C(CCHH)(CH3)(OSi)(H)	C(CCHO)2(H)2	C(CCHO)(H)3	111.2415	0.093	2	111.2415	0.009	2	113.3910	7.558	115	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(Cl)(H)2	106.3340	0.000	1	106.3340	0.000	1	106.3340	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(F)(H)2	C(CFHH)(CHHN)(OC)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(F)(H)2	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OC)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(H)3	109.2850	0.000	1	109.2850	0.000	1	110.2942	0.382	5	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(H)3	110.3885	0.186	2	110.3885	0.035	2	110.2942	0.382	5	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(H)3	110.7045	0.347	2	110.7045	0.121	2	110.2942	0.382	5	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	C(CCHO)(H)3	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	C(CCHO)(H)3	112.2630	0.000	1	112.2630	0.000	1	113.4210	2.682	2	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)(H)3	C(CC[3]HH)(CH3)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)(H)3	114.5790	0.000	1	114.5790	0.000	1	113.4210	2.682	2	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	C(CCHO)(H)3	C(CC[4]HH)(CH3)(ON)(H)	C(C[4]C[4]2O)(CCHO)(H)2	C(CCHO)(H)3	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C(CCHO)(H)3	C(CC[5]BrH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C(CCHO)(H)3	116.3040	0.000	1	116.3040	0.000	1	116.3040	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CC[5]HH)(CClHH)(OH)(H)	C(C[5]C[5]2S)(CCHO)(H)2	C(CCHO)(Cl)(H)2	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(H)3	111.6275	0.107	4	111.6275	0.012	4	111.6860	0.026	5	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C(CCHO)(H)3	C(CC[5]HH)(CH3)(OC)(H)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C(CCHO)(H)3	111.9200	0.000	1	111.9200	0.000	1	111.6860	0.026	5	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OC)(H)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(CCHO)(H)3	110.8560	0.000	1	110.8560	0.000	1	111.3940	0.219	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C(CCHO)(H)3	C(CC[6]HH)(CH3)(OH)(H)	C(C[6]C[6]2H)(CCHO)(H)2	C(CCHO)(H)3	111.6630	0.062	2	111.6630	0.004	2	111.3940	0.219	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	C(CCHO)(H)3	C(CHHN)(CH3)(OH)(H)	C(NCuCH)(CCHO)(H)2	C(CCHO)(H)3	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	C(CCHO)(H)3	C(CHHS)(CH3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	C(CCHO)(H)3	110.5810	0.524	3	110.5810	0.274	3	110.5810	0.274	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(SC)(H)	C(CCHS)2(H)2	C(CCHS)(H)3	C(CCHH)(CH3)(SC)(H)	C(CCHS)2(H)2	C(CCHS)(H)3	112.0954	1.733	8	112.0954	3.002	8	112.7208	4.076	10	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(SRe)(H)	C(CReHH)(CCHS)(H)2	C(CCHS)(H)3	C(CCHH)(CH3)(SRe)(H)	C(CReHH)(CCHS)(H)2	C(CCHS)(H)3	115.3210	0.000	1	115.3210	0.000	1	112.7208	4.076	10	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(CH3)(H)2	C(CCHS)(H)3	C(CCHH)(CH3)(SZn)(H)	C(CCHS)(CH3)(H)2	C(CCHS)(H)3	115.1240	0.000	1	115.1240	0.000	1	112.7208	4.076	10	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(SNi)(H)	C(NNiCC)(CCHS)(H)2	C(CCHS)(H)3	C(CHHN)(CH3)(SNi)(H)	C(NNiCC)(CCHS)(H)2	C(CCHS)(H)3	110.4780	0.074	3	110.4780	0.005	3	110.4780	0.005	3	112.8290	7.199	167	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	111.4660	0.536	2	111.4660	0.287	2	111.4660	0.287	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(SC)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(SC)(H)2	115.5820	0.000	1	115.5820	0.000	1	111.8865	27.313	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	C(CCHN)(SS)(H)2	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	C(CCHN)(SS)(H)2	108.1910	0.000	1	108.1910	0.000	1	111.8865	27.313	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:O-2:H-1:H-1:	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(OC)(H)2	C(CClCH)(CHHO)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(OC)(H)2	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)(H)2	110.1760	0.106	2	110.1760	0.011	2	110.1760	0.011	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(OC)(H)2	110.4300	0.000	1	110.4300	0.000	1	109.2234	9.366	5	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	C(CCHO)(OC)(H)2	C(CCHH)(CHHO)(OC)(H)	C(CC[6a]2H)(CCHO)(H)2	C(CCHO)(OC)(H)2	106.1240	0.144	2	106.1240	0.021	2	109.2234	9.366	5	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OH)(H)	C(CC[5]HH)(CCHO)(H)2	C(CCHO)(OH)(H)2	110.2510	0.000	1	110.2510	0.000	1	109.2234	9.366	5	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CCHH)(CHHO)(OSi)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(OH)(H)2	113.1880	0.000	1	113.1880	0.000	1	109.2234	9.366	5	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(CN)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(CN)(H)2	109.1290	0.342	7	109.1290	0.117	7	109.1290	0.117	7	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OC)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(OC)(H)2	110.8490	0.000	1	110.8490	0.000	1	107.4585	22.991	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(OC)(H)2	C(CHHN)(CHHO)(OH)(H)	C(CCHO)(NC3)(H)2	C(CCHO)(OC)(H)2	104.0680	0.000	1	104.0680	0.000	1	107.4585	22.991	2	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CC[5]HH)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(OH)(H)2	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	C(CCHO)(OH)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	C(N[6]C[6]2O)(CCHO)(H)2	C(CCHO)(OH)(H)2	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	109.9106	6.434	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCH)(H)2	110.8100	0.000	1	110.8100	0.000	1	111.1995	0.303	2	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCC)(H)2	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCC)(H)2	111.5890	0.000	1	111.5890	0.000	1	111.1995	0.303	2	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:Cl-1:H-1:	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(CCH)(Cl)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(CCH)(Cl)(H)	114.2130	0.000	1	114.2130	0.000	1	114.2130	0.000	1	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C-4:C-3:H-1:H-1:	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	C(CCHO)(CCO)(H)2	C(CCFF)(CCHH)(OH)(H)	C(CCFF)(CCHO)(F)2	C(CCHO)(CCO)(H)2	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:N-3:H-1:H-1:	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	C(CCHO)(NCC)(H)2	C(CCFH)(CHHN)(OC)(H)	C(CCHH)(CCHO)(F)(H)	C(CCHO)(NCC)(H)2	112.9000	0.378	4	112.9000	0.143	4	112.9000	0.143	4	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	115.8280	0.352	4	115.8280	0.124	4	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCO)(H)2	114.2420	0.972	2	114.2420	0.944	2	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	C(CCHH)2(OH)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	115.2590	0.000	1	115.2590	0.000	1	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCH)(H)2	114.7168	0.930	4	114.7168	0.866	4	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CCO)(H)2	115.0655	0.268	2	115.0655	0.072	2	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CNO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CNO)(H)2	111.1410	0.000	1	111.1410	0.000	1	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(COO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(COO)(H)2	113.2850	0.352	2	113.2850	0.124	2	114.6103	1.783	16	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	C(CCHO)(NCC)(H)2	C(CCHH)(CHHN)(OC)(H)	C(CN[5a]HH)(CCHO)(H)2	C(CCHO)(NCC)(H)2	111.0465	0.689	2	111.0465	0.475	2	110.8820	0.897	5	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(NCH)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)(NCH)(H)2	110.7723	1.229	3	110.7723	1.511	3	110.8820	0.897	5	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(NCC)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCCH)(H)2	C(CCHO)(NCC)(H)2	114.1860	0.000	1	114.1860	0.000	1	112.7505	4.121	2	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(NHS)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NH3)(H)2	C(CCHO)(NHS)(H)2	111.3150	0.000	1	111.3150	0.000	1	112.7505	4.121	2	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C(CCHO)(NCC)(H)2	C(CC[5,6,6]HH)(CHHN)(OH)(H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C(CCHO)(NCC)(H)2	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C(CCHO)(NCC)(H)2	C(CC[5]HH)(CHHN)(OC)(H)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C(CCHO)(NCC)(H)2	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	113.4194	3.845	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-3:O-2:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(COO)(OS)(H)	C(CClCH)(CCHO)(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CCHO)(COO)(OS)(H)	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.8455	0.090	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)(CCO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)(CCO)(OH)(H)	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	111.8455	0.090	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	110.7020	0.000	1	110.7020	0.000	1	110.7535	0.005	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CF3)(H)2	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CF3)(H)2	110.8050	0.000	1	110.8050	0.000	1	110.7535	0.005	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)2(OH)(H)	C(CBrCH)(CCHO)(Br)(H)	C(CBrCH)(CCHO)(Br)(H)	117.3525	0.162	2	117.3525	0.026	2	117.3525	0.026	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHH)(CCHO)(H)2	113.9370	1.724	5	113.9370	2.972	5	116.7166	15.609	10	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CH3)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CCHO)(CH3)(H)2	117.0500	0.000	1	117.0500	0.000	1	116.7166	15.609	10	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CC[3]HH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CC[3]HH)(CCHO)(H)2	122.1810	0.137	2	122.1810	0.019	2	116.7166	15.609	10	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CClCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Br)(H)	C(CClCH)(CCHO)(H)2	121.6840	0.000	1	121.6840	0.000	1	116.7166	15.609	10	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHO)(H)2	C(CBrCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCHO)(H)2	114.3850	0.000	1	114.3850	0.000	1	116.7166	15.609	10	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	S-4:C-4:H-1:H-1:	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]OO)(CCHO)(H)2	C(CBrCH)(CHHS)(OSi)(H)	C(CC[6a]HN)(CCHO)(Br)(H)	C(SC[6a]OO)(CCHO)(H)2	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(Cl)(H)	113.8105	0.047	2	113.8105	0.002	2	113.8557	1.473	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)2(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(Cl)(H)	113.2130	0.000	1	113.2130	0.000	1	113.8557	1.473	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)2(OH)(H)	C(CClCH)(CCHO)(Cl)(H)	C(CClCH)(CCHO)(Cl)(H)	114.1000	1.839	3	114.1000	3.383	3	113.8557	1.473	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(H)2	C(CClCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)(CHHO)(H)2	116.4590	0.000	1	116.4590	0.000	1	113.3965	4.663	4	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHO)(H)2	C(CClCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(Cl)(H)	C(CClCH)(CCHO)(H)2	112.3757	0.861	3	112.3757	0.742	3	113.3965	4.663	4	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:Br-1:H-1:	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	C(CCHO)(CHHO)(Br)(H)	C(CBrCH)(CCFH)(OSi)(H)	C(CC[6a]HO)(CCHO)(F)(H)	C(CCHO)(CHHO)(Br)(H)	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CCHO)(H)2	C(CCFH)(CCHH)(OS)(H)	C(CCHH)(CCHO)(F)(H)	C(CCHH)(CCHO)(H)2	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.0335	0.340	4	113.0335	0.116	4	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.7711	2.171	11	113.7711	4.713	11	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)(H)2	112.8750	0.000	1	112.8750	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(H)2	112.1808	2.273	5	112.1808	5.167	5	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	C(CCHO)2(H)2	C(CCHH)2(OC)(H)	C(CCHO)2(H)2	C(CCHO)2(H)2	111.7440	0.000	1	111.7440	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OC)(H)	C(CC[5]HO)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	116.3890	0.000	1	116.3890	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	114.3590	0.959	6	114.3590	0.920	6	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)(H)2	113.6355	0.144	2	113.6355	0.021	2	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(H)2	110.6240	0.000	1	110.6240	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHO)2(H)2	C(CCHH)2(OH)(H)	C(CCHO)2(H)2	C(CCHO)2(H)2	112.6235	2.840	2	112.6235	8.068	2	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.2540	0.000	1	113.2540	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(CHHO)(H)2	C(CCHH)2(OH)(H)	C(CC[6]HH)(CCHO)(H)2	C(CCHO)(CHHO)(H)2	110.1950	0.000	1	110.1950	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CC[6a]CH)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(H)2	112.8510	0.000	1	112.8510	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CCHH)2(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	112.8790	0.000	1	112.8790	0.000	1	113.2632	3.432	38	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(NH3)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(NH3)(H)2	111.4672	0.138	6	111.4672	0.019	6	111.4672	0.019	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(SC[6a]OO)(CCHO)(H)2	C(CCHH)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(SC[6a]OO)(CCHO)(H)2	110.6790	4.521	2	110.6790	20.442	2	110.6790	20.442	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHI)(OC)(H)	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHO)(H)2	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)2(OH)(H)	C(CCHO)(NCHH)(H)2	C(CCHO)(NCHH)(H)2	112.6465	5.438	2	112.6465	29.576	2	112.6465	29.576	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[5]HH)(CCHH)(OC)(H)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	116.3050	0.000	1	116.3050	0.000	1	116.3050	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C(C[5]C[5]O[5]H)(CCHO)(H)2	115.5560	0.000	1	115.5560	0.000	1	114.4155	2.601	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	C(C[5]C[5]N[5]H)(CCHO)(H)2	C(CC[5]HH)2(OC)(H)	C(C[5]C[5]N[5]H)(CCHO)(H)2	C(C[5]C[5]N[5]H)(CCHO)(H)2	113.2750	0.000	1	113.2750	0.000	1	114.4155	2.601	2	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OC)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	113.4730	0.000	1	113.4730	0.000	1	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[5]CH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C(CC[5]CH)(CCHO)(H)2	114.6535	1.704	4	114.6535	2.905	4	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CCHO)(CHHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CCHO)(CHHO)(H)2	113.1340	0.136	2	113.1340	0.018	2	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	112.8910	0.000	1	112.8910	0.000	1	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(H)2	C(CCHO)2(H)2	111.0897	1.563	6	111.0897	2.444	6	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CCHO)2(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CCHO)2(H)2	111.0500	0.000	1	111.0500	0.000	1	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CC[6]HH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(H)2	C(CC[6]HH)(CCHO)(H)2	113.8680	0.000	1	113.8680	0.000	1	112.6689	3.791	16	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	C(NCoCC)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NCoCC)(CCHO)(H)2	C(NCoCC)(CCHO)(H)2	116.7860	0.000	1	116.7860	0.000	1	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	C(NCoCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NCoCH)(CCHO)(H)2	C(NCoCH)(CCHO)(H)2	113.7397	0.783	7	113.7397	0.612	7	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	C(NCuCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NCuCH)(CCHO)(H)2	C(NCuCH)(CCHO)(H)2	113.7140	0.000	1	113.7140	0.000	1	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	C(NNiCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NNiCH)(CCHO)(H)2	C(NNiCH)(CCHO)(H)2	113.2970	0.000	1	113.2970	0.000	1	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	C(NPdHH)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NPdHH)(CCHO)(H)2	C(NPdHH)(CCHO)(H)2	115.7440	0.000	1	115.7440	0.000	1	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OH)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCH)(CCHO)(H)2	113.5780	0.000	1	113.5780	0.000	1	114.1081	1.415	12	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	C(CN[5]HH)(CCHH)(OH)(H)	C(N[5]C[5]2H)(CCHO)(H)2	C(CCHH)(CCHO)(H)2	109.3480	0.000	1	109.3480	0.000	1	109.3480	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CCHO)(SO3)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CCHO)(SO3)(H)2	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	C(CCFF)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	C(PC[6a]2O)(CCHO)(H)2	C(CCFF)(CCHO)(H)2	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OC)(H)	C(SiCCO)(CCHO)(H)2	C(CCHO)(CC3)(H)2	116.3060	0.000	1	116.3060	0.000	1	115.4477	0.638	3	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	C(CCHO)(CC3)(H)2	C(CSiHH)(CCHH)(OH)(H)	C(SiCCO)(CCHO)(H)2	C(CCHO)(CC3)(H)2	115.0185	0.414	2	115.0185	0.171	2	115.4477	0.638	3	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(SC)(H)	C(CCHH)(CCHS)(H)2	C(CCHS)(CF3)(H)2	C(CCHH)2(SC)(H)	C(CCHH)(CCHS)(H)2	C(CCHS)(CF3)(H)2	110.4050	0.000	1	110.4050	0.000	1	110.4050	0.000	1	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(SPd)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	111.1564	1.448	5	111.1564	2.096	5	111.2432	1.722	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(SPt)(H)	C(PC[6a]2Pt)(CCHS)(H)2	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPt)(H)	C(PC[6a]2Pt)(CCHS)(H)2	C(CCHS)(CH3)(H)2	111.6770	0.000	1	111.6770	0.000	1	111.2432	1.722	6	113.4522	6.555	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:N-2:H-1:	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(Cl)(H)	C(CCHO)2(NN)(H)	111.7465	0.602	2	111.7465	0.362	2	111.7465	0.362	2	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(NN)(H)	117.6335	0.476	2	117.6335	0.226	2	118.5210	1.180	4	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(NN)(H)	119.4085	0.405	2	119.4085	0.164	2	118.5210	1.180	4	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OC)(H)	116.1365	0.602	2	116.1365	0.362	2	114.3842	2.749	8	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OH)(H)	113.4945	1.412	2	113.4945	1.994	2	114.3842	2.749	8	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(OH)(H)	114.7780	0.356	3	114.7780	0.127	3	114.3842	2.749	8	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CClCH)(CCHO)(OH)(H)	111.4780	0.000	1	111.4780	0.000	1	114.3842	2.749	8	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)(NCHH)(H)2	C(CCHO)2(OH)(H)	113.2380	0.000	1	113.2380	0.000	1	113.2380	0.000	1	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	C(C[3]C[3]2H)(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	113.4980	0.376	2	113.4980	0.142	2	113.9677	0.733	3	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)2(OH)(H)	114.9070	0.000	1	114.9070	0.000	1	113.9677	0.733	3	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	121.1500	0.000	1	121.1500	0.000	1	115.2842	12.727	5	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	112.2290	0.000	1	112.2290	0.000	1	115.2842	12.727	5	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5a]CH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5a]CH)(CCHO)(OH)(H)	116.0850	0.000	1	116.0850	0.000	1	115.2842	12.727	5	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HO)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CC[5]HO)(CCHO)(OH)(H)	113.4785	0.050	2	113.4785	0.003	2	115.2842	12.727	5	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	C(C[6]S[6]2H)(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	111.6840	0.000	1	111.6840	0.000	1	113.6417	2.899	3	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OH)(H)	C(CC[6]HH)(CCHO)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	C(CC[6]HH)(CCHO)(OH)(H)	114.6205	0.223	2	114.6205	0.050	2	113.6417	2.899	3	114.8130	6.658	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(NHS)(H)	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	112.9070	0.581	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CCHO)(NH3)(COO)(H)	C(CC[6]HH)(CCHN)(OC)(H)	C(C[6]C[6,6]C[6]H)(CCHO)(H)2	C(CCHO)(NH3)(COO)(H)	112.3680	0.000	1	112.3680	0.000	1	112.3680	0.000	1	112.9070	0.581	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	C(CCHO)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(OH)(H)	C(C[6]C[6]2C)(CCHO)(H)2	C(CCHO)(CH3)(CCH)(OH)	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:Br-1:	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(Br)	C(CBrCC)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(Br)	116.2550	0.000	1	116.2550	0.000	1	116.2550	0.000	1	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(CCHO)(CH3)2(H)	114.0150	0.000	1	114.0150	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(H)	113.8660	0.000	2	113.8660	0.000	2	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	116.8470	0.000	1	116.8470	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)2(CHHO)(H)	117.2160	0.000	1	117.2160	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHOO)(H)2	C(CCHO)2(CH3)(H)	111.7240	0.000	1	111.7240	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(H)2	C(CCHO)2(CH3)(H)	113.9220	0.078	2	113.9220	0.006	2	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]2O)(CCHO)(H)2	C(CCHO)(CH3)2(H)	112.7070	0.000	1	112.7070	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	113.7993	0.609	4	113.7993	0.371	4	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	116.6862	0.808	5	116.6862	0.654	5	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CN[5a]CH)(CCHO)(H)2	C(CCHO)2(CH3)(H)	112.9990	0.000	1	112.9990	0.000	1	114.7217	3.135	19	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CCCH)(CCHO)2(H)	116.6410	0.000	1	116.6410	0.000	1	115.9060	2.328	3	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(CC[3]HO)(CCCH)(CCHO)(H)	116.9250	0.000	1	116.9250	0.000	1	115.9060	2.328	3	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)(CH3)2(H)	C(CC[3]HH)(CCCH)(OH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	C(CCHO)(CH3)2(H)	114.1520	0.000	1	114.1520	0.000	1	115.9060	2.328	3	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(C[5]O[5]2C)(CCHO)(H)2	C(CCHO)2(CH3)(H)	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	114.8286	3.007	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OC)	114.1040	0.000	1	114.1040	0.000	1	114.9190	1.929	9	114.9190	1.929	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	116.3540	0.281	2	116.3540	0.079	2	114.9190	1.929	9	114.9190	1.929	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OC)	116.6710	0.000	1	116.6710	0.000	1	114.9190	1.929	9	114.9190	1.929	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	114.3538	1.130	4	114.3538	1.276	4	114.9190	1.929	9	114.9190	1.929	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	C(CC[4,6]HH)(CCHO)(H)2	C(CCHO)(CH3)2(OH)	113.3730	0.000	1	113.3730	0.000	1	114.9190	1.929	9	114.9190	1.929	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OC)(H)	C(CBrHS)(CCHO)(H)2	C(CCHO)(CH3)3	115.9670	0.725	2	115.9670	0.526	2	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHO)(CH3)3	114.9022	0.909	4	114.9022	0.825	4	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)3	113.1270	0.000	1	113.1270	0.000	1	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CH3)3	115.0500	0.000	2	115.0500	0.000	2	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	C(CCHO)(CH3)3	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	C(CCHO)(CH3)3	113.8750	0.000	1	113.8750	0.000	1	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CC[6a]HH)(CCHO)(H)2	C(CCHO)2(CH3)2	114.1810	0.000	1	114.1810	0.000	1	114.8024	0.993	11	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	C(CCHO)(CH3)3	C(CHHP)(CC3)(OH)(H)	C(CCHO)(PCCS)(H)2	C(CCHO)(CH3)3	114.0610	0.066	2	114.0610	0.004	2	114.0610	0.004	2	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:S-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	C(CCHO)(CH3)3	C(CHHS)(CC3)(OC)(H)	C(CCHO)(SCOO)(H)2	C(CCHO)(CH3)3	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CH3)3	C(CHHN)(CC3)(OH)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CH3)3	113.0420	0.103	2	113.0420	0.011	2	113.0420	0.011	2	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	C(CCHO)(CH3)3	C(CHHS)(CC3)(OC)(H)	C(SC[6]OO)(CCHO)(H)2	C(CCHO)(CH3)3	114.1932	1.048	5	114.1932	1.099	5	114.1932	1.099	5	114.3671	1.035	21	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(OC[6a])(CCHO)(H)2	115.3430	0.361	2	115.3430	0.130	2	114.2180	1.774	4	114.2180	1.774	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	O-2:C-4:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(OC[6])(CCHO)(H)2	113.0930	0.361	2	113.0930	0.130	2	114.2180	1.774	4	114.2180	1.774	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	2:4:4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	O-2:C-4:C-4:H-1:	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	C(CC[6]HO)(CCHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(OC[6])(CCHO)(CHHO)(H)	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:N-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	112.0740	1.809	2	112.0740	3.272	2	112.0740	3.272	2	112.2637	1.886	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHO)(OTi)(H)	C(CC[6a]HH)(CCHO)(OTi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHO)(OTi)(H)	C(CC[6a]HH)(CCHO)(OTi)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	113.0440	0.109	2	113.0440	0.012	2	113.0440	0.012	2	112.2637	1.886	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	N-3:C-4:H-1:H-1:	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	C(NC[6a]H)(CCHO)(H)2	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(CHOP)(OS)(H)	C(NC[6a]H)(CCHO)(H)2	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	112.2637	1.886	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	N[6a]-3:C-4:H-1:H-1:	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	C(CN[6a]HH)(CCHO)(OH)(H)	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	110.3370	0.464	2	110.3370	0.215	2	110.3370	0.215	2	112.2637	1.886	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	P-3:C-4:H-1:H-1:	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	C(CCHO)(CHHP)(OC)(H)	C(CCHO)(CHHP)(OC)(H)	C(PC[6a]2)(CCHO)(H)2	112.8660	0.007	2	112.8660	0.000	2	112.8660	0.000	2	112.2637	1.886	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:2:1:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-3:C-4:O-2:H-1:	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	3:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:N-3:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CN[5]O)(CCHO)(NCH)(H)	113.4570	0.282	4	113.4570	0.079	4	113.4570	0.079	4	113.4570	0.079	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	110.8800	0.000	2	110.8800	0.000	2	110.8800	0.000	2	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(H)3	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:F-1:H-1:H-1:	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(F)(H)2	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(F)(H)2	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHO)(H)3	114.4020	0.000	1	114.4020	0.000	1	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(H)3	112.8760	0.000	1	112.8760	0.000	1	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)(H)3	111.7861	3.861	8	111.7861	14.907	8	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(H)3	111.5920	0.357	3	111.5920	0.127	3	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OP)(H)	C(CCHO)(CH3)(OP)(H)	C(CCHO)(H)3	115.4140	0.864	2	115.4140	0.747	2	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CH3)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(H)3	112.8960	0.000	1	112.8960	0.000	1	112.5042	8.853	16	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[4]HO)(CH3)(OC)(H)	C(C[4]C[4,5]C[4]H)(CCHO)(OC)(H)	C(CCHO)(H)3	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[5]HO)(CH3)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(H)3	114.4035	1.016	4	114.4035	1.033	4	114.4035	1.033	4	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CCHO)(H)3	C(CC[6]HO)(CH3)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CCHO)(H)3	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.5246	6.548	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.7075	0.179	2	113.7075	0.032	2	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	116.7173	0.648	4	116.7173	0.420	4	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.1300	0.000	1	113.1300	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HH)(CCHO)(OC)(H)	C(CCHO)(OH)(H)2	114.0670	0.000	1	114.0670	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	114.4690	0.000	1	114.4690	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.1520	0.000	1	113.1520	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HH)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	112.1990	0.000	1	112.1990	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.4790	0.000	1	113.4790	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CC[6a]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.4545	0.216	2	113.4545	0.047	2	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(OH)(H)2	113.6330	0.034	2	113.6330	0.001	2	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	112.1490	0.000	1	112.1490	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	113.0070	0.000	1	113.0070	0.000	1	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	112.8047	2.275	3	112.8047	5.178	3	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(CHHO)(ON)(H)	C(CCHO)(ON)(H)2	114.1320	0.042	2	114.1320	0.002	2	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	115.2345	0.806	4	115.2345	0.650	4	114.1380	2.452	27	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(CHHS)(OH)(H)	C(CCHO)(SSn)(H)2	112.7595	1.491	2	112.7595	2.224	2	112.2067	2.029	3	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:S-2:H-1:H-1:	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(SRe)(H)2	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(CHHS)(ORe)(H)	C(CCHO)(SRe)(H)2	111.1010	0.000	1	111.1010	0.000	1	112.2067	2.029	3	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CC[4]HO)(CHHO)(OC)(H)	C(C[4]C[4]N[4]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	115.2790	0.000	1	115.2790	0.000	1	115.2790	0.000	1	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	111.9565	0.117	2	111.9565	0.014	2	111.9622	0.881	5	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C(CCHO)(OH)(H)2	111.3750	1.189	2	111.3750	1.415	2	111.9622	0.881	5	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	C(CC[5]HO)(CHHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(OH)(H)2	113.1480	0.000	1	113.1480	0.000	1	111.9622	0.881	5	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[5,6]O[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	114.9380	0.861	2	114.9380	0.742	2	113.9929	2.391	7	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6,6a]C[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	114.4640	2.184	2	114.4640	4.768	2	113.9929	2.391	7	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CC[6]HO)(CHHO)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(OC)(H)	C(CCHO)(OC)(H)2	113.0487	1.402	3	113.0487	1.966	3	113.9929	2.391	7	113.7532	2.753	43	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	110.9220	0.000	1	110.9220	0.000	1	113.5940	3.104	5	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:Cl-1:H-1:	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	C(CClCH)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(OH)(H)	C(CCHO)(COO)(Cl)(H)	114.2620	1.079	4	114.2620	1.164	4	113.5940	3.104	5	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCO)(H)2	110.9135	1.145	2	110.9135	1.311	2	113.9222	8.707	6	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCO)(H)2	116.8680	0.000	1	116.8680	0.000	1	113.9222	8.707	6	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(COO)(H)2	116.9800	0.000	1	116.9800	0.000	1	113.9222	8.707	6	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CCO)(H)2	115.6740	0.000	1	115.6740	0.000	1	113.9222	8.707	6	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)(OSi)(H)	C(CCHO)(CCO)(H)2	112.1840	0.000	1	112.1840	0.000	1	113.9222	8.707	6	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(NCH)(H)2	C(CC[5]HO)(CHHN)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(NCH)(H)2	116.2120	0.000	1	116.2120	0.000	1	116.2120	0.000	1	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(SC)(H)	C(CCHO)(CCHS)(OC)(H)	C(CCHS)(NOO)(H)2	C(CCHO)(CHHN)(SC)(H)	C(CCHO)(CCHS)(OC)(H)	C(CCHS)(NOO)(H)2	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	113.6718	6.347	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	112.8880	0.000	1	112.8880	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OC)(H)	113.6540	0.000	1	113.6540	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CCC)(OC)(H)	115.6776	1.162	5	115.6776	1.351	5	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCH)(OC)(H)	112.8920	0.000	1	112.8920	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCN)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CCN)(OC)(H)	113.1030	0.000	1	113.1030	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CCH)(OH)(H)	115.6145	2.013	2	115.6145	4.053	2	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OC)(H)	114.5340	0.000	1	114.5340	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	112.0330	0.000	1	112.0330	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CCC)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CCC)(OC)(H)	114.3590	0.000	1	114.3590	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCC)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCC)(OH)(H)	112.7020	0.000	1	112.7020	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CCO)(OH)(H)	111.6155	0.450	2	111.6155	0.203	2	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHO)2(OH)(H)	C(CC[3]HH)(CCHO)(OH)(H)	C(CCHO)(CCH)(OH)(H)	112.7170	0.000	1	112.7170	0.000	1	113.9850	3.019	18	113.9850	3.019	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	114.9900	0.000	1	114.9900	0.000	1	114.9900	0.000	1	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(F)2	C(CCFF)(CCHO)(OC)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(F)2	116.3820	0.000	1	116.3820	0.000	1	116.9405	0.624	2	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(F)2	C(CCFF)(CCHO)(OH)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(F)2	117.4990	0.000	1	117.4990	0.000	1	116.9405	0.624	2	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(H)2	114.5060	0.000	1	114.5060	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(H)2	115.0445	2.199	4	115.0445	4.836	4	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCCH)(CCHO)(H)2	116.1395	1.525	2	116.1395	2.326	2	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	115.0900	0.000	1	115.0900	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(H)2	114.9050	0.000	1	114.9050	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	115.1805	1.548	2	115.1805	2.396	2	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OSi)(H)	C(CCHO)2(H)2	112.3300	0.000	1	112.3300	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	115.8100	0.000	1	115.8100	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	116.9440	0.000	1	116.9440	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OC)(H)	C(CC[6a]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	113.9570	0.000	1	113.9570	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	113.4830	0.718	2	113.4830	0.516	2	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	115.6219	1.554	15	115.6219	2.414	15	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(H)2	115.6964	1.529	5	115.6964	2.339	5	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	C(CC[6]CH)(CCHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OSi)(H)	C(CC[6]CH)(CCHO)(H)2	112.3060	0.000	1	112.3060	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(H)2	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(H)2	113.5500	0.000	1	113.5500	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OH)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(H)2	120.4520	0.000	1	120.4520	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	114.8110	0.000	1	114.8110	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CHHS)(H)2	113.6470	0.000	1	113.6470	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CHHO)(H)2	117.6600	0.000	1	117.6600	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHO)(CHHS)(H)2	C(CCHH)(CCHO)(OSi)(H)	C(CC[5]HH)(CCHO)(OC)(H)	C(CCHO)(CHHS)(H)2	112.6850	0.000	1	112.6850	0.000	1	115.2556	3.298	44	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	C(CC[5]HO)(CClCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CH3)(Cl)(H)	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CC[5]HO)(CCHH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHH)(CCHO)(H)2	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(C[6]S[6]2C)(CCHO)(H)2	C(CC[5]HO)(CC[6]HH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(C[6]S[6]2C)(CCHO)(H)2	115.2680	0.000	1	115.2680	0.000	1	115.2680	0.000	1	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(H)2	111.9260	0.528	2	111.9260	0.278	2	112.6813	1.851	3	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CCHO)2(H)2	C(CC[6]HO)(CCHH)(OH)(H)	C(C[6]C[6]O[6]O)(CCHO)(OH)(H)	C(CCHO)2(H)2	114.1920	0.000	1	114.1920	0.000	1	112.6813	1.851	3	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	116.1375	1.283	2	116.1375	1.647	2	116.1375	1.647	2	115.1159	3.726	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-2:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	C(CCCH)(CCHN)(OH)(H)	117.7960	0.000	1	117.7960	0.000	1	115.4868	2.438	4	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHH)(CCHN)(OC)(H)	114.7600	0.000	1	114.7600	0.000	1	115.4868	2.438	4	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	C(CCHH)(CCHN)(OH)(H)	114.6955	0.449	2	114.6955	0.202	2	115.4868	2.438	4	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C(CCHN)(CCHO)(NN)(H)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(NH)(H)	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	115.6565	4.321	2	115.6565	18.672	2	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OH)(H)	111.0410	0.000	1	111.0410	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	117.9620	1.492	2	117.9620	2.226	2	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	113.9330	0.000	1	113.9330	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)2(OC)(H)	110.8000	0.000	1	110.8000	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)2(OC)(H)	113.3850	0.000	1	113.3850	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHOP)(OC)(H)	111.3240	0.421	2	111.3240	0.178	2	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHOS)(OC)(H)	110.7930	0.000	1	110.7930	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	113.7225	1.718	6	113.7225	2.952	6	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	116.7010	0.000	1	116.7010	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	111.0083	0.759	3	111.0083	0.576	3	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	112.7620	0.000	1	112.7620	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	C(CC[6a]HH)(CCHO)(OSi)(H)	C(CCHO)(CC3)(OH)(H)	113.9440	0.000	1	113.9440	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CClHH)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	112.7850	0.000	1	112.7850	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	114.2760	3.052	2	114.2760	9.314	2	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	112.8257	0.907	3	112.8257	0.822	3	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	118.7680	0.000	1	118.7680	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CFHH)(OH)(H)	C(CCHO)2(OH)(H)	112.5270	0.000	1	112.5270	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	113.0985	0.156	2	113.0985	0.024	2	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHN)(OH)(H)	C(CCHO)2(OH)(H)	115.9981	2.928	8	115.9981	8.571	8	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OH)(H)	114.9997	2.103	9	114.9997	4.421	9	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OSi)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)2(OSi)(H)	115.7240	0.000	1	115.7240	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CH3)(OH)(H)	113.6080	0.000	1	113.6080	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	113.6706	1.183	19	113.6706	1.399	19	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	112.2340	0.578	24	112.2340	0.334	24	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OH)(H)	114.4507	1.157	3	114.4507	1.339	3	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	111.6060	0.000	1	111.6060	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CC[5a]HO)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	112.2540	0.000	1	112.2540	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)2(OH)(H)	114.7490	0.000	1	114.7490	0.000	1	113.5994	4.429	101	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	C(CCHO)(CHHN)(OSi)(H)	C(CCHO)(PO3)(OH)(H)	116.7310	0.000	1	116.7310	0.000	1	116.7310	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CCHS)(OC)(H)	C(CCHO)(CHHN)(SC)(H)	C(CCHO)2(OC)(H)	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CHOP)(OC)(H)	C(CCHO)(PO3)(OH)(H)	C(CCHO)2(OC)(H)	110.1760	0.621	2	110.1760	0.385	2	110.1760	0.385	2	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CC[3]HO)(CCHO)(OC)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5,5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CC[5,5]HO)(CCHO)(OC)(H)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OS)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OS)(H)	114.0332	0.820	4	114.0332	0.673	4	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	113.8020	0.048	2	113.8020	0.002	2	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	113.2200	0.000	1	113.2200	0.000	1	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	C(CC[5]HO)(CCHO)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)2(OC)(H)	112.2700	0.000	1	112.2700	0.000	1	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HH)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C(CC[5]HH)(CCHO)(OH)(H)	114.0530	0.267	2	114.0530	0.071	2	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CHHO)(OH)(H)	111.4840	2.759	3	111.4840	7.611	3	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[5]HO)(CCHO)(OH)(H)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	116.6080	0.102	4	116.6080	0.010	4	114.0128	4.202	17	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	C(CCHO)(CHHO)(OC)(H)	112.3850	0.000	1	112.3850	0.000	1	113.0127	4.912	3	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]2O)(CCHO)(OC)(H)	C(CCHO)(CC3)(OC)(H)	115.4750	0.000	1	115.4750	0.000	1	113.0127	4.912	3	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(C[6]C[6]S[6]H)(CCHO)(OC)(H)	C(CCHO)2(OC)(H)	111.1780	0.000	1	111.1780	0.000	1	113.0127	4.912	3	113.7222	4.726	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NC)(H)	C(CCHO)(CH3)(CCO)(H)	112.8210	0.000	1	112.8210	0.000	1	112.8210	0.000	1	113.8441	1.307	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	114.1765	0.782	4	114.1765	0.611	4	114.1765	0.611	4	113.8441	1.307	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C(CCHO)(CH3)(COO)(H)	115.1860	0.000	1	115.1860	0.000	1	113.6910	4.470	2	113.8441	1.307	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CCHO)(CH3)(CCO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C(CCHO)(CH3)(CCO)(H)	112.1960	0.000	1	112.1960	0.000	1	113.6910	4.470	2	113.8441	1.307	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	113.7980	0.000	1	113.7980	0.000	1	113.7980	0.000	1	115.6282	4.764	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	112.6840	0.000	1	112.6840	0.000	1	114.0470	3.716	2	115.6282	4.764	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	115.4100	0.000	1	115.4100	0.000	1	114.0470	3.716	2	115.6282	4.764	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	117.0910	1.999	4	117.0910	3.995	4	117.0910	3.995	4	115.6282	4.764	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	115.6282	4.764	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:C-4:C-4:C-3:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	C(CCHO)(CH3)2(CCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(CC)(H)	C(CCHO)(CH3)2(CCO)	115.1900	0.000	2	115.1900	0.000	2	115.1900	0.000	2	116.8170	4.566	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)(CC3)(OC)(H)	C(CC[6]HO)(CCHO)(OC)(H)	C(CCHO)(CH3)2(CCH)	117.1970	0.000	1	117.1970	0.000	1	118.4440	3.110	2	116.8170	4.566	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)2(COO)	C(CCHO)(CC3)(OH)(H)	C(CCHH)(CCHO)(OH)(H)	C(CCHO)(CH3)2(COO)	119.6910	0.000	1	119.6910	0.000	1	118.4440	3.110	2	116.8170	4.566	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	C(CCHO)(CH3)3	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CC)(H)	C(CCHO)(CH3)3	115.0390	2.225	2	115.0390	4.949	2	115.0390	4.949	2	115.5716	4.246	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CCFF)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)2	119.6930	0.000	1	119.6930	0.000	1	115.7846	4.933	5	115.5716	4.246	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OH)(H)	C(CCFF)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CH3)2	115.0460	0.000	1	115.0460	0.000	1	115.7846	4.933	5	115.5716	4.246	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CC3)(OH)(H)	C(CCHO)(CH3)3	115.0015	0.334	2	115.0015	0.112	2	115.7846	4.933	5	115.5716	4.246	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CH3)3	C(CCHO)(CC3)(OH)(H)	C(CCHO)2(OC)(H)	C(CCHO)(CH3)3	114.1810	0.000	1	114.1810	0.000	1	115.7846	4.933	5	115.5716	4.246	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(SC[6a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(SC[6a])(CCHO)(H)2	111.2680	0.000	1	111.2680	0.000	1	110.1275	2.601	2	110.1275	2.601	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	2:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	S-2:C-4:H-1:H-1:	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(SC[5a])(CCHO)(H)2	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(SC[5a])(CCHO)(H)2	108.9870	0.000	1	108.9870	0.000	1	110.1275	2.601	2	110.1275	2.601	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CN[5]O)(CCHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CN[5]O)(CCHO)(H)2	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	114.9600	1.191	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CC[6a]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	114.9600	1.191	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(N[6]C[6]2)(CCHO)(H)2	115.4210	1.438	2	115.4210	2.069	2	115.4210	2.069	2	114.9600	1.191	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(H)3	113.6620	0.000	1	113.6620	0.000	1	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	C(CCHO)(H)3	112.8700	0.000	1	112.8700	0.000	1	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCHO)(H)3	114.0960	0.000	1	114.0960	0.000	1	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(CCHO)(H)3	115.5560	0.000	1	115.5560	0.000	1	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	C(CCHO)(H)3	111.9820	0.233	2	111.9820	0.054	2	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	C(CCHO)(H)3	112.8270	0.000	1	112.8270	0.000	1	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(CCHO)(H)3	117.0740	1.923	2	117.0740	3.699	2	114.1248	4.482	9	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(H)3	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(CNO)(H)	C(CCHO)(H)3	110.4390	0.000	1	110.4390	0.000	1	112.5373	1.356	31	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(CCHO)(NH3)(COO)(H)	C(CCHO)(H)3	112.5436	1.128	28	112.5436	1.272	28	112.5373	1.356	31	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OP)(H)	C(CCHO)(NH3)(COO)(H)	C(CCHO)(H)3	113.4990	0.262	2	113.4990	0.068	2	112.5373	1.356	31	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	C(CCHO)(H)3	C(CCHN)(CH3)(OH)(H)	C(NCuHH)(CCHO)(COO)(H)	C(CCHO)(H)3	112.9190	0.372	2	112.9190	0.138	2	112.9190	0.138	2	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(SS)(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCHS)(H)3	C(CCHN)(CH3)(SS)(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCHS)(H)3	114.8775	1.173	4	114.8775	1.375	4	114.8775	1.375	4	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:S-2:S-1:	C-4:C-4:C-3:F-1:	C-4:H-1:H-1:H-1:	C(CCCF)(CH3)(SC)(S)	C(CCHH)(CCSS)(COO)(F)	C(CCSS)(H)3	C(CCCF)(CH3)(SC)(S)	C(CCHH)(CCSS)(COO)(F)	C(CCSS)(H)3	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	113.1053	2.475	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	C(CCHO)(OH)(H)2	C(CCCH)(CHHO)(OC)(H)	C(CCHH)(CCHO)(CNO)(H)	C(CCHO)(OH)(H)2	118.0850	0.000	1	118.0850	0.000	1	115.1112	4.363	4	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)(OC)(H)2	113.2500	0.000	1	113.2500	0.000	1	115.1112	4.363	4	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(OC)(H)2	114.5550	0.404	2	114.5550	0.164	2	115.1112	4.363	4	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	C(CCHO)(OH)(H)2	114.3340	0.000	1	114.3340	0.000	1	113.8277	1.041	3	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHO)(OC)(H)2	C(CCHN)(CHHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHO)(OC)(H)2	112.6530	0.000	1	112.6530	0.000	1	113.8277	1.041	3	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)(OH)(H)2	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)(OH)(H)2	114.4960	0.000	1	114.4960	0.000	1	113.8277	1.041	3	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(OC)(H)2	112.6780	0.198	2	112.6780	0.039	2	112.6780	0.039	2	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	C(CCHO)(OH)(H)2	C(CC[6]CH)(CHHO)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CCH)(H)	C(CCHO)(OH)(H)2	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	113.7163	4.435	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)(CCO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)(CCO)(H)2	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(COO)(H)2	112.7133	0.537	3	112.7133	0.288	3	112.1445	1.283	8	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)(COO)(H)2	111.1060	0.000	1	111.1060	0.000	1	112.1445	1.283	8	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(CNO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(CNO)(H)2	113.7150	0.000	1	113.7150	0.000	1	112.1445	1.283	8	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(COO)(H)2	111.7425	1.227	2	111.7425	1.505	2	112.1445	1.283	8	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHO)(COO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHO)(COO)(H)2	110.7100	0.000	1	110.7100	0.000	1	112.1445	1.283	8	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(NCS)(H)2	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(NCS)(H)2	110.7783	1.227	3	110.7783	1.506	3	110.7783	1.506	3	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(SC)(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHS)(CNO)(H)2	C(CCHH)(CCHN)(SC)(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHS)(CNO)(H)2	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	112.0217	1.713	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)(COO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)(COO)(OH)(H)	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.1625	1.347	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(CCH)(OH)(H)	111.8210	0.000	1	111.8210	0.000	1	113.0927	1.992	3	113.1625	1.347	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(COO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(COO)(OH)(H)	112.8460	0.000	1	112.8460	0.000	1	113.0927	1.992	3	113.1625	1.347	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHO)(CCH)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(CHHO)(NCH)(H)	C(CCHO)(CCH)(OH)(H)	114.6110	0.000	1	114.6110	0.000	1	113.0927	1.992	3	113.1625	1.347	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	C(CCHH)(CCHN)(H)2	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)(CH3)(H)2	118.2480	0.000	1	118.2480	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(H)2	115.3700	1.143	3	115.3700	1.308	3	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(H)2	116.0460	0.000	1	116.0460	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHH)(CCHO)(H)2	114.4453	1.149	3	114.4453	1.320	3	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CC[3]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CC[3]HH)(CCHO)(H)2	113.0840	0.000	1	113.0840	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCHO)(H)2	114.2230	0.000	1	114.2230	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCHO)(CHHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCHO)(CHHO)(H)2	113.5940	0.000	1	113.5940	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CCO)(H)	C(CCHH)(CCHO)(H)2	113.4730	0.000	1	113.4730	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CNO)(H)	C(CCHH)(CCHO)(H)2	116.3640	1.263	3	116.3640	1.595	3	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(COO)(H)	C(CCHH)(CCHO)(H)2	115.4733	0.998	4	115.4733	0.996	4	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)2(H)2	113.2840	0.000	1	113.2840	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHH)(CCHO)(H)2	114.0800	0.127	2	114.0800	0.016	2	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHH)(CCHO)(H)2	116.8660	0.000	1	116.8660	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CH3)(COO)(H)	C(CCHH)(CCHO)(H)2	115.3250	0.000	1	115.3250	0.000	1	115.1139	2.061	24	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(F)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(F)(H)	114.7460	0.000	1	114.7460	0.000	1	114.7460	0.000	1	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OC)(H)	C(CCHO)(CH3)(NHS)(H)	C(CCHO)(CHHO)(H)2	117.0880	0.000	1	117.0880	0.000	1	113.8060	4.867	4	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(H)2	112.7630	0.474	2	112.7630	0.224	2	113.8060	4.867	4	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHO)(CHHO)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(CCHO)(CHHO)(H)2	112.6100	0.000	1	112.6100	0.000	1	113.8060	4.867	4	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	N[6]-4:C-4:H-1:H-1:	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	109.1335	0.200	2	109.1335	0.040	2	109.1335	0.040	2	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:S-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHS)(CH3)(H)2	C(CCHH)(CCHN)(SS)(H)	C(CCHH)(CCHS)(NHS)(H)	C(CCHS)(CH3)(H)2	113.2203	1.312	3	113.2203	1.721	3	113.2203	1.721	3	114.3588	4.263	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(OH)(H)	114.4330	0.163	2	114.4330	0.026	2	114.1337	0.282	3	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CHHO)(OH)(H)	113.5350	0.000	1	113.5350	0.000	1	114.1337	0.282	3	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHH)(CCHO)(OC)(H)	115.9150	0.000	1	115.9150	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(OC)(H)	112.2720	0.000	1	112.2720	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(OS)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHH)(CCHO)(OS)(H)	115.2700	0.000	1	115.2700	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHO)(CH3)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHO)(CH3)(OH)(H)	113.2000	0.000	1	113.2000	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CHHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CHHO)(OH)(H)	116.1430	0.000	1	116.1430	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)2(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)2(OH)(H)	117.2920	0.000	1	117.2920	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)2(OSi)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CCHO)2(OSi)(H)	116.2030	0.000	1	116.2030	0.000	1	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(CCHN)(CCHO)(OH)(H)	114.5760	0.287	2	114.5760	0.082	2	115.0497	2.502	9	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	C(CCHO)2(OC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHO)(NCHH)(CCH)(H)	C(CCHO)2(OC)(H)	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	114.6447	2.275	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	C(CCHO)(CH3)(CCH)(H)	114.6390	0.000	1	114.6390	0.000	1	114.5028	0.159	5	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(CCO)(H)	114.5973	0.454	3	114.5973	0.206	3	114.5028	0.159	5	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)(COO)(H)	114.0830	0.000	1	114.0830	0.000	1	114.5028	0.159	5	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCC)(H)	C(CCHO)(CH3)(CCO)(H)	113.2490	0.000	1	113.2490	0.000	1	113.9463	0.509	3	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CH3)(CCO)(H)	114.6750	0.000	1	114.6750	0.000	1	113.9463	0.509	3	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHO)(CH3)(CCO)(H)	113.9150	0.000	1	113.9150	0.000	1	113.9463	0.509	3	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(CCHO)(CHOO)(NOO)(H)	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	113.9770	1.184	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	C(CCHN)(CH3)2(H)	113.0710	0.000	1	113.0710	0.000	1	113.0710	0.000	1	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:Br-1:	C-4:C-4:C-4:H-1:	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	C(CCHO)(CH3)2(H)	C(CBrCC)(CCCH)(OC)(H)	C(CCHO)(CH3)(COO)(Br)	C(CCHO)(CH3)2(H)	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)(CH3)2(H)	115.9450	0.000	1	115.9450	0.000	1	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	118.2240	0.000	1	118.2240	0.000	1	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCC)(H)	C(CCHO)2(CH3)(H)	113.6600	0.000	1	113.6600	0.000	1	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCHO)2(CH3)(H)	114.9330	1.037	9	114.9330	1.076	9	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	117.9428	1.929	4	117.9428	3.722	4	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCHO)(CH3)(CCS)(H)	C(CCHO)2(CH3)(H)	119.2043	2.398	3	119.2043	5.749	3	116.4005	5.267	19	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OC)(H)	C(CCHO)(CHHO)(NCC)(H)	C(CCHO)(CH3)2(H)	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	C(CCHO)(CH3)2(H)	C(CC[6]CH)(CCCH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CCH)(H)	C(CCHO)(CH3)2(H)	115.6190	0.000	1	115.6190	0.000	1	115.6190	0.000	1	116.1203	4.882	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCHO)2(CH3)(OH)	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	C(CCHO)(CH3)2(CCO)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)(COO)(H)	C(CCHO)(CH3)2(CCO)	113.0910	0.000	1	113.0910	0.000	1	113.0910	0.000	1	114.0805	1.958	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CH3)2(CCH)	C(CCHN)(CC3)(OH)(H)	C(CCHH)(CCHO)(NCH)(H)	C(CCHO)(CH3)2(CCH)	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	114.0805	1.958	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	C(CCCH)(H)3	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	C(CCCH)(H)3	114.1280	0.000	1	114.1280	0.000	1	114.1280	0.000	1	113.3760	1.131	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	C(CCHO)(H)3	C(CCCO)(CH3)(OH)(H)	C(CCHO)(CH3)(CNO)(OH)	C(CCHO)(H)3	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	113.3760	1.131	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:3:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-3:O-2:H-1:	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	C(CCHO)(COO)(OC)(H)	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	C(CCHO)(COO)(OC)(H)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(CC[6a]HH)(CCHN)(H)2	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	113.1610	0.179	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CCHH)(CCHO)(H)2	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	113.1610	0.179	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(COO)(OH)	C(CCHH)(CCHO)(CH3)(H)	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	113.8780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(CCHO)(H)3	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(CCHO)(H)3	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	112.8050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CC[6a]HH)(CCHN)(H)2	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(C[5]C[5]2)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(C[5]C[5]2)(CCHO)(H)2	116.0212	0.939	6	116.0212	0.881	6	116.0212	0.881	6	116.0212	0.881	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	3:4:4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCHO)(CH3)(H)	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	113.3010	0.492	2	113.3010	0.242	2	113.3010	0.242	2	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:Br-1:	C-4:Br-1:H-1:H-1:	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	C(CCHO)(Br)(H)2	C(CBrCC)(CBrHH)(OH)(H)	C(CClCH)(CCHO)(CH3)(Br)	C(CCHO)(Br)(H)2	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(H)3	114.5790	1.755	2	114.5790	3.080	2	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)(H)3	114.3773	1.702	3	114.3773	2.896	3	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(H)3	113.8910	0.000	1	113.8910	0.000	1	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	C(CCHO)(H)3	115.7760	0.000	1	115.7760	0.000	1	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCHO)(H)3	113.1080	0.000	1	113.1080	0.000	1	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCHO)(H)3	115.2550	0.000	1	115.2550	0.000	1	114.4800	1.679	9	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CCHO)(H)3	C(CC[6]CH)(CH3)(OH)(H)	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CCHO)(H)3	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	113.9868	1.811	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	112.1547	0.910	3	112.1547	0.829	3	112.9014	0.968	14	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	112.9627	0.879	8	112.9627	0.772	8	112.9014	0.968	14	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	113.4847	1.183	3	113.4847	1.399	3	112.9014	0.968	14	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCHO)(OC)(H)2	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCHO)(OC)(H)2	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CCHO)(OC)(H)2	C(CC[3]CH)(CHHO)(OC)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CCHO)(OC)(H)2	114.4330	0.000	1	114.4330	0.000	1	114.4330	0.000	1	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:O-2:H-1:	C[3x6]-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CCHO)(OH)(H)2	C(CC[3x6]HN)(CHHO)(OH)(H)	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	C(CCHO)(OH)(H)2	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	113.2395	1.439	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	C(CCHO)(CCC)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)2(H)	C(CCHO)(CCC)(H)2	121.9000	0.000	1	121.9000	0.000	1	115.6827	11.644	6	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CCH)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CCH)(H)2	114.2253	1.043	3	114.2253	1.088	3	115.6827	11.644	6	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CNO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CNO)(H)2	112.6020	0.000	1	112.6020	0.000	1	115.6827	11.644	6	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(COO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(COO)(H)2	116.9180	0.000	1	116.9180	0.000	1	115.6827	11.644	6	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCC)(H)2	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCC)(H)2	111.9465	0.499	2	111.9465	0.249	2	112.3260	0.375	4	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCS)(H)2	C(CCCH)(CHHN)(OC)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHO)(NCS)(H)2	112.7055	0.549	2	112.7055	0.302	2	112.3260	0.375	4	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCHO)(CCH)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCHO)(CCH)(H)2	114.3570	1.220	2	114.3570	1.490	2	114.3570	1.490	2	114.3428	7.989	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)(CSiC)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)(CSiC)(CH3)(H)	114.9795	0.083	2	114.9795	0.007	2	114.9795	0.007	2	113.6203	5.545	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:3:4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-3:C-4:H-1:	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	110.9020	0.000	1	110.9020	0.000	1	110.9020	0.000	1	113.6203	5.545	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCHH)(CCHO)(H)2	116.4850	0.000	2	116.4850	0.000	2	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	114.0240	0.000	2	114.0240	0.000	2	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	115.4310	0.000	1	115.4310	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	117.5620	1.756	2	117.5620	3.085	2	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(H)2	116.0830	0.000	1	116.0830	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	C(CCHH)(CCHO)(H)2	117.9230	0.000	1	117.9230	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(H)2	114.8090	0.000	1	114.8090	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(H)2	114.1340	0.000	1	114.1340	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	116.0386	1.959	7	116.0386	3.836	7	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	117.5083	0.845	3	117.5083	0.713	3	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	C(CCHH)(CCHO)(H)2	117.1555	0.411	2	117.1555	0.169	2	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHN)(CH3)(H)	C(CCHH)(CCHO)(H)2	118.2870	0.000	1	118.2870	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	112.6840	0.000	1	112.6840	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	C(CCHO)2(H)2	C(CCCH)(CCHH)(OH)(H)	C(CCHO)2(CHHO)(H)	C(CCHO)2(H)2	116.9690	0.000	1	116.9690	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCHO)(CH3)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCHO)(CH3)(H)2	113.8820	0.000	1	113.8820	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CClCC)(CCHO)(H)2	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CClCC)(CCHO)(H)2	113.9160	0.000	1	113.9160	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CCCH)(CCHH)(OSi)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	115.6010	0.000	1	115.6010	0.000	1	116.0333	3.050	29	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	114.8240	0.000	1	114.8240	0.000	1	113.3605	4.284	2	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCHO)2(H)2	C(CC[5]CH)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCHO)2(H)2	111.8970	0.000	1	111.8970	0.000	1	113.3605	4.284	2	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(C[5]C[5]2O)(CCHO)(H)2	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(C[5]C[5]2O)(CCHO)(H)2	114.3913	0.275	3	114.3913	0.075	3	114.3913	0.075	3	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	C(CC[6]CH)(CCHH)(OC)(H)	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(H)2	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	115.7787	3.288	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	C(CCHO)2(NH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCO)(CCHO)(CHHO)(H)	C(CCHO)2(NH)(H)	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHH)(CCHO)(CHHO)(H)	C(CCHO)2(OC)(H)	115.6520	0.000	1	115.6520	0.000	1	115.1716	2.586	5	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(OC)(H)	114.2520	0.000	1	114.2520	0.000	1	115.1716	2.586	5	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	C(CCHO)2(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	C(CCHO)2(OC)(H)	113.7120	0.000	1	113.7120	0.000	1	115.1716	2.586	5	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(OH)(H)	114.4880	0.000	1	114.4880	0.000	1	115.1716	2.586	5	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	C(CCHO)2(OH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCHH)(CCHO)(CHHO)(H)	C(CCHO)2(OH)(H)	117.7540	0.000	1	117.7540	0.000	1	115.1716	2.586	5	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	114.6226	2.615	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	115.7810	0.000	1	115.7810	0.000	1	114.6467	1.916	12	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(COO)(H)	115.6043	0.893	3	115.6043	0.798	3	114.6467	1.916	12	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	113.8390	0.000	1	113.8390	0.000	1	114.6467	1.916	12	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	114.1897	1.490	7	114.1897	2.221	7	114.6467	1.916	12	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	115.2030	0.000	1	115.2030	0.000	1	114.0383	1.137	3	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	113.4560	0.489	2	113.4560	0.239	2	114.0383	1.137	3	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(H)	115.6650	0.000	1	115.6650	0.000	1	115.4623	0.656	3	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCO)(H)	115.3610	1.119	2	115.3610	1.251	2	115.4623	0.656	3	114.6813	1.632	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:3:2:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)(CH3)(CCH)(OH)	118.6920	2.417	2	118.6920	5.841	2	118.6920	5.841	2	118.6920	5.841	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	118.3780	0.000	1	118.3780	0.000	1	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	118.7047	1.424	3	118.7047	2.028	3	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CH3)2(H)	115.9340	0.197	2	115.9340	0.039	2	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(CH3)(H)	113.5530	0.802	6	113.5530	0.643	6	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(CH3)(H)	115.7612	1.650	9	115.7612	2.722	9	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(H)	119.6950	0.000	1	119.6950	0.000	1	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCHO)(CH3)2(H)	113.9780	0.000	1	113.9780	0.000	1	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CH3)2(H)	C(CCHO)2(CH3)(H)	115.6548	0.338	4	115.6548	0.114	4	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(CH3)(H)	116.3550	2.055	2	116.3550	4.222	2	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCHO)2(CH3)(H)	115.2209	1.121	14	115.2209	1.256	14	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	117.0905	0.047	2	117.0905	0.002	2	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	111.5830	0.000	2	111.5830	0.000	2	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	115.1740	0.000	1	115.1740	0.000	1	115.5030	3.643	48	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CCHO)(CHHO)(CH3)(H)	115.8080	0.000	1	115.8080	0.000	1	115.8080	0.000	1	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CCHO)2(CH3)(H)	116.1510	0.000	1	116.1510	0.000	1	116.1510	0.000	1	115.5221	3.504	50	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:2:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)2(CH3)(OH)	112.2040	0.399	2	112.2040	0.159	2	112.2040	0.159	2	112.2040	0.159	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(CCH)	116.6615	0.934	2	116.6615	0.873	2	114.8830	1.681	8	114.8830	1.681	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:3:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-3:	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)(CCHO)(CH3)(CCH)	114.2902	0.701	6	114.2902	0.492	6	114.8830	1.681	8	114.8830	1.681	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)(CH3)3	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCHO)(CH3)3	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	115.9303	2.498	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:O-2:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CCHH)2(CCHO)(CH3)	115.0700	0.745	2	115.0700	0.555	2	115.0700	0.555	2	115.9303	2.498	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCHO)(Br)(H)2	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCHO)(Br)(H)2	112.0310	0.000	1	112.0310	0.000	1	111.3870	0.829	2	111.3870	0.829	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	C(CCHO)(Br)(H)2	C(CBrHH)(CCCO)(OH)(H)	C(CBrHH)(CCHO)(CH3)(OH)	C(CCHO)(Br)(H)2	110.7430	0.000	1	110.7430	0.000	1	111.3870	0.829	2	111.3870	0.829	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	C(CCHO)(OC)(H)2	C(CCCO)(CHHO)(OC)(H)	C(CCHO)2(CH3)(OSi)	C(CCHO)(OC)(H)2	114.1870	0.000	1	114.1870	0.000	1	114.3540	0.190	3	114.2025	0.219	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHO)(OH)(H)2	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHO)(OH)(H)2	114.4375	0.582	2	114.4375	0.339	2	114.3540	0.190	3	114.2025	0.219	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:Si-4:O-2:	C-4:O-2:H-1:H-1:	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	C(CCHO)(OH)(H)2	C(CSiCO)(CHHO)(OC)(H)	C(CCHH)(CCHO)(SiC3)(OH)	C(CCHO)(OH)(H)2	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	114.2025	0.219	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	113.9930	0.000	1	113.9930	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	114.1160	0.000	1	114.1160	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[5a]HO)(CCHO)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[5a]HO)(CCHO)(H)2	113.5295	0.039	2	113.5295	0.002	2	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	C(CCHO)(CH3)(H)2	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	C(CCHO)(CH3)(H)2	115.4720	0.000	1	115.4720	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	116.0943	2.384	3	116.0943	5.682	3	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCCH)(CCHO)(H)2	115.8535	2.217	2	115.8535	4.914	2	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	115.3960	0.000	1	115.3960	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	C(CCHO)2(H)2	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	C(CCHO)2(H)2	114.5015	0.275	2	114.5015	0.076	2	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	118.0350	0.003	2	118.0350	0.000	2	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCHH)(CCHO)(H)2	114.4960	0.000	1	114.4960	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	118.4440	0.000	1	118.4440	0.000	1	115.5317	3.383	17	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CCCH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CCCH)(CCHO)(H)2	117.1035	0.101	2	117.1035	0.010	2	115.9234	1.168	5	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	C(CC[5]CO)(CCHH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CCHH)(CCHO)(H)2	115.1367	0.096	3	115.1367	0.009	3	115.9234	1.168	5	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(C[5]C[5]2H)(CCHO)(H)2	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(C[5]C[5]2H)(CCHO)(H)2	114.2920	0.000	1	114.2920	0.000	1	114.2920	0.000	1	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CCHO)(CH3)(H)2	C(CC[6]CN)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CCHO)(CH3)(H)2	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CCHO)(CH3)(H)2	C(CC[6]CO)(CCHH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CCHO)(CH3)(H)2	114.9520	0.000	1	114.9520	0.000	1	114.9520	0.000	1	115.7013	3.231	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:2:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(CCHO)2(OC)(H)	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(CCHO)2(OC)(H)	116.2245	5.099	2	116.2245	25.999	2	116.2245	25.999	2	116.2245	25.999	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(CCO)(H)2	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(CCO)(H)2	113.9840	0.000	1	113.9840	0.000	1	114.6243	2.614	7	114.6243	2.614	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(COO)(H)2	C(CCHH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(COO)(H)2	114.7310	1.744	6	114.7310	3.041	6	114.6243	2.614	7	114.6243	2.614	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:N-2:H-1:	C-4:Si-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	C(CC[6a]HH)(CCHN)(H)2	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	115.9967	0.266	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(H)2	C(CCHH)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(H)2	115.6200	0.472	2	115.6200	0.223	2	115.6200	0.223	2	115.9967	0.266	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCHO)(CHHO)(H)2	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCHO)(CHHO)(H)2	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	115.9967	0.266	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(OC)(H)	114.4862	1.625	5	114.4862	2.641	5	114.7748	2.613	6	114.7748	2.613	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(OH)(H)	C(CCHO)(CC3)(OC)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(OH)(H)	116.2180	0.000	1	116.2180	0.000	1	114.7748	2.613	6	114.7748	2.613	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:H-1:	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	C(CCHO)(CH3)2(H)	C(CCCH)(CC3)(OC)(H)	C(CCHH)(CCHO)(CH3)(COO)	C(CCHO)(CH3)2(H)	117.7540	0.000	1	117.7540	0.000	1	115.3367	4.387	3	115.3367	4.387	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:4:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:H-1:	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCHO)(CH3)2(CCH)	C(CCHO)2(CH3)(H)	114.1280	0.089	2	114.1280	0.008	2	115.3367	4.387	3	115.3367	4.387	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:3:	4:4:4:3:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(CH3)2(COO)	C(CC3)2(OH)(H)	C(CCHO)(CH3)2(CCO)	C(CCHO)(CH3)2(COO)	122.7420	0.000	1	122.7420	0.000	1	122.7420	0.000	1	122.7420	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	113.8730	0.752	6	113.8730	0.565	6	113.9914	0.569	7	114.4068	1.182	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	114.7020	0.000	1	114.7020	0.000	1	113.9914	0.569	7	114.4068	1.182	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	C(CCHO)(H)3	C(CC3)(CH3)(OC)(H)	C(CCHH)(CCHO)(CH3)2	C(CCHO)(H)3	116.4120	0.000	1	116.4120	0.000	1	116.4120	0.000	1	114.4068	1.182	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(H)3	C(CC[4]CC)(CH3)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(H)3	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	114.4068	1.182	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:2:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCHO)(OH)(H)2	C(CCCN)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCHO)(OH)(H)2	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC[5]HH)(CCHO)(H)2	118.4400	0.124	2	118.4400	0.015	2	117.6958	0.773	4	116.9476	1.512	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CC[6]HH)(CCHO)(H)2	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CC[6]HH)(CCHO)(H)2	116.7410	0.000	1	116.7410	0.000	1	117.6958	0.773	4	116.9476	1.512	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	C(CCHO)2(H)2	C(CCHH)(CC3)(OSi)(H)	C(CCHO)(CH3)3	C(CCHO)2(H)2	117.1620	0.000	1	117.1620	0.000	1	117.6958	0.773	4	116.9476	1.512	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)(H)2	C(CC[4]CC)(CCHH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)(H)2	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	116.9476	1.512	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CCHO)(CHHO)(H)2	C(CC[6]CC)(CCHH)(OSi)(H)	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CCHO)(CHHO)(H)2	115.7245	1.107	2	115.7245	1.225	2	115.7245	1.225	2	116.9476	1.512	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:2:1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	C(CCHO)2(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	C(CCHO)2(OC)(H)	121.0085	5.871	2	121.0085	34.470	2	121.0085	34.470	2	121.0085	34.470	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OC)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)2(H)	118.7165	0.142	2	118.7165	0.020	2	117.8083	2.484	3	115.8996	2.681	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OH)(H)	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CCHO)(CH3)2(H)	115.9920	0.000	1	115.9920	0.000	1	117.8083	2.484	3	115.8996	2.681	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CCHO)2(CH3)(H)	114.9578	0.166	4	114.9578	0.027	4	114.9578	0.027	4	115.8996	2.681	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:1:	4:4:4:4:	4:4:4:1:	C-4:C-4:O-2:H-1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CCHO)2(CH3)(H)	114.9200	0.041	2	114.9200	0.002	2	114.9200	0.002	2	115.8996	2.681	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	3:4:4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:C-4:H-1:	C(CC[6a]HH)(CCHN)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(NC[6a]C)(CC3)(CH3)(H)	C(CC[6a]HH)(CCHN)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(NC[6a]C)(CC3)(CH3)(H)	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	108.7550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	111.8075	1.312	2	111.8075	1.721	2	111.8075	1.721	2	112.6205	1.639	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C[6a]-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[6a]FF)(CF3)(OH)2	C(C[6a]C[6a]2)(CCOO)(F)2	C(CCOO)(F)3	C(CC[6a]FF)(CF3)(OH)2	C(C[6a]C[6a]2)(CCOO)(F)2	C(CCOO)(F)3	113.4335	0.743	2	113.4335	0.552	2	113.4335	0.552	2	112.6205	1.639	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CCCH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CCCH)(CC3)(H)2	110.0970	0.000	1	110.0970	0.000	1	111.2200	1.434	3	111.2200	1.434	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CCCH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CCCH)(CC3)(H)2	111.7815	0.988	2	111.7815	0.976	2	111.2200	1.434	3	111.2200	1.434	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-2:C-2:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5a]HH)(CCCH)(CN)2	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CCHH)2(CC3)(H)	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C-3:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	C(CCCO)(F)3	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	C(CCCO)(F)3	109.6235	0.606	2	109.6235	0.367	2	109.6235	0.367	2	109.6235	0.367	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(H)3	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(C[6a]C[6a]2)(CC3)(H)2	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	113.7780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HP)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC3)(H)3	C(CC[6a]HP)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC3)(H)3	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC3)(CCH)(H)2	C(CC[6a]CH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC3)(CCH)(H)2	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	109.2780	0.896	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]C[6]H)(CCHH)(CN)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC3)(CCH)(H)2	C(CC[6a]C[6]H)(CCHH)(CN)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC3)(CCH)(H)2	108.8270	0.351	3	108.8270	0.123	3	108.8270	0.123	3	109.2780	0.896	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CN)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CN)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	110.5940	0.000	1	110.5940	0.000	1	110.8100	0.093	2	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CN)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CN)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	111.0260	0.000	1	111.0260	0.000	1	110.8100	0.093	2	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CC)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CC)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.8490	0.829	2	110.8490	0.687	2	111.1389	0.597	51	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.1596	0.783	48	111.1596	0.613	48	111.1389	0.597	51	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CN)(OO)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CN)(OO)	C(CCCO)(H)3	C(CCCO)(H)3	110.7250	0.000	1	110.7250	0.000	1	111.1389	0.597	51	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NN)(OO)	C(CCNO)(H)3	C(CCNO)(H)3	C(CH3)2(NN)(OO)	C(CCNO)(H)3	C(CCNO)(H)3	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OCo)(OH)	C(CCOO)(F)3	C(CCOO)(F)3	C(CF3)2(OCo)(OH)	C(CCOO)(F)3	C(CCOO)(F)3	111.3925	0.878	4	111.3925	0.770	4	110.5167	1.041	10	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(OCu)(OC)	C(CCOO)(F)3	C(CCOO)(F)3	C(CF3)2(OCu)(OC)	C(CCOO)(F)3	C(CCOO)(F)3	109.9328	0.624	6	109.9328	0.389	6	110.5167	1.041	10	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OC)2	C(CCOO)(H)3	C(CCOO)(H)3	C(CH3)2(OC)2	C(CCOO)(H)3	C(CCOO)(H)3	111.3187	0.667	3	111.3187	0.445	3	113.4962	1.016	20	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OO)2	C(CCOO)(H)3	C(CCOO)(H)3	C(CH3)2(OO)2	C(CCOO)(H)3	C(CCOO)(H)3	113.8805	0.324	17	113.8805	0.105	17	113.4962	1.016	20	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-2:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SC)2	C(CCSS)(H)3	C(CCSS)(H)3	C(CH3)2(SC)2	C(CCSS)(H)3	C(CCSS)(H)3	110.4400	0.000	1	110.4400	0.000	1	110.4400	0.000	1	111.6239	1.870	85	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:O-2:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CFHH)(CHHO)(OH)2	C(CCOO)(OP)(H)2	C(CCOO)(F)(H)2	C(CFHH)(CHHO)(OH)2	C(CCOO)(OP)(H)2	C(CCOO)(F)(H)2	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:2:1:1:	4:2:1:1:	C-4:C-4:S-2:S-2:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(SC)2	C(CCSS)(SC)(H)2	C(CCSS)(SC)(H)2	C(CHHS)2(SC)2	C(CCSS)(SC)(H)2	C(CCSS)(SC)(H)2	109.8795	2.002	2	109.8795	4.007	2	109.8795	4.007	2	109.8795	4.007	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:C-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(OH)2	C(CCOO)(CCO)(F)2	C(CCOO)(F)3	C(CCFF)(CF3)(OH)2	C(CCOO)(CCO)(F)2	C(CCOO)(F)3	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	112.9080	0.184	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	C(CCOO)(H)3	C(CCHH)(CH3)(OC)2	C(CCOO)(CCO)(H)2	C(CCOO)(H)3	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	112.9080	0.184	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(OC)2	C(CCOO)(CNO)(OH)(H)	C(CCOO)(H)3	C(CCHO)(CH3)(OC)2	C(CCOO)(CNO)(OH)(H)	C(CCOO)(H)3	112.7910	0.000	1	112.7910	0.000	1	112.7910	0.000	1	112.7910	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:3:3:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:C-3:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(OH)2	C(CCOO)(COO)(NCH)(H)	C(CCOO)(F)3	C(CCHN)(CF3)(OH)2	C(CCOO)(COO)(NCH)(H)	C(CCOO)(F)3	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	110.2660	2.677	2	110.2660	7.167	2	110.2660	7.167	2	110.5155	2.414	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-2:H-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(HNa)2	C(CCHH)2(H)2	C(CCHH)(H)3	C(CCHH)(CH3)(HNa)2	C(CCHH)2(H)2	C(CCHH)(H)3	111.7210	0.212	2	111.7210	0.045	2	111.7210	0.045	2	110.5155	2.414	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	110.5155	2.414	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	C(CCOO)(F)3	C(CCHH)(CF3)(OC)(OH)	C(CCOO)2(H)2	C(CCOO)(F)3	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	110.5155	2.414	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-2:C-2:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CN)2	C(CC[6a]CH)(CC3)(H)2	C(CC3)(CCC)(H)2	C(CCHH)2(CN)2	C(CC[6a]CH)(CC3)(H)2	C(CC3)(CCC)(H)2	116.0455	1.675	2	116.0455	2.806	2	116.0455	2.806	2	116.0455	2.806	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	C(CCHH)(CCOO)(H)2	C(CCHH)2(OO)2	C(CCHH)(CCOO)(H)2	C(CCHH)(CCOO)(H)2	116.3206	0.975	9	116.3206	0.950	9	116.0761	0.657	15	116.0761	0.657	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OO)2	C(CCOO)(CH3)(H)2	C(CCOO)(CH3)(H)2	C(CCHH)2(OO)2	C(CCOO)(CH3)(H)2	C(CCOO)(CH3)(H)2	115.7093	0.225	6	115.7093	0.051	6	116.0761	0.657	15	116.0761	0.657	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	C(CCCO)(CH3)(H)2	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	C(CCCO)(CH3)(H)2	109.3370	0.185	2	109.3370	0.034	2	109.3370	0.034	2	109.3370	0.034	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:2:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:O-2:C-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(OCr)(CN)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(OCr)(CN)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(CNO)(H)	C(SC[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CHHS)(CH3)(CNO)(H)	C(SC[6a])(CCCH)(H)2	C(CCCH)(H)3	116.4385	3.258	2	116.4385	10.612	2	116.4385	10.612	2	112.8383	6.853	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(F)3	C(CHHO)(CF3)(NCC)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(F)3	113.2953	0.746	4	113.2953	0.557	4	113.2953	0.557	4	112.8383	6.853	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NCH)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	110.5812	0.868	4	110.5812	0.753	4	110.5812	0.753	4	112.8383	6.853	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(OC[3])(CCHN)(H)2	C(CCCH)(CCHN)(H)2	112.8255	0.260	2	112.8255	0.067	2	112.8255	0.067	2	112.8255	0.067	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:1:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHN)(CHHS)(COO)(H)	C(SC[6a])(CCCH)(H)2	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	C(SC[6a])(CCCH)(H)2	C(CCCH)2(NHS)(H)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	C(SN[5])(CCHN)(CCH)(H)	C(CCHN)(CH3)2(H)	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(H)3	113.4500	0.000	1	113.4500	0.000	1	113.8438	0.188	4	113.5815	0.394	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	113.9750	0.423	3	113.9750	0.179	3	113.8438	0.188	4	113.5815	0.394	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	S-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)(CCO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CCHS)(CH3)(CCO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCCH)(H)3	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5815	0.394	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHN)(F)3	C(CCHS)(CF3)(NCH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	C(CCHN)(F)3	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	113.5815	0.394	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	S-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	C(SC[6a])(CCHH)(CCHN)(H)	C(CCHN)(CH3)(H)2	115.0840	0.000	1	115.0840	0.000	1	115.0840	0.000	1	115.0840	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	S-2:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CCHS)(CNO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHO)(CCHS)(CNO)(H)	C(SC[6a])(CCCH)(CCHH)(H)	C(CCCH)(CH3)(OH)(H)	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	113.5860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:2:	4:2:1:1:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-2:	C-4:O-2:H-1:H-1:	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCHN)(OSi)(H)2	C(CCCO)(CHHO)(NHS)(H)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCHN)(OSi)(H)2	114.7458	0.423	4	114.7458	0.179	4	114.7458	0.179	4	114.7458	0.179	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	2:4:4:4:	4:1:1:1:	C-4:C-4:N-3:H-1:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	C(CCHN)(H)3	C(CCCO)(CH3)(NHS)(H)	C(OC[6a])(CCHN)(CH3)2	C(CCHN)(H)3	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	113.7050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	3:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	115.5210	7.663	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	3:4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CC[6a]HN)(CC[6a]HS)(NOO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	116.8937	0.435	3	116.8937	0.189	3	116.8937	0.189	3	115.5210	7.663	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(OC[3])(CCHN)(H)	C(CCHN)(H)3	113.1463	1.708	3	113.1463	2.917	3	113.1515	1.569	6	113.1515	1.569	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(OC[6])(CCHN)(H)	C(CCHN)(H)3	113.5520	0.000	1	113.5520	0.000	1	113.1515	1.569	6	113.1515	1.569	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NSS)(H)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	C(CCHN)(H)3	112.9590	1.332	2	112.9590	1.775	2	113.1515	1.569	6	113.1515	1.569	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:2:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:S-2:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HS)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HS)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a])(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	112.9270	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	3:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CC[6a]CH)(CC[6a]HN)(NOO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	113.9025	0.060	2	113.9025	0.004	2	113.9025	0.004	2	113.9025	0.004	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	C(CCCH)(H)3	111.8160	0.993	2	111.8160	0.986	2	111.8160	0.986	2	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]S)(CCCH)(H)	C(CCCH)(H)3	111.0750	0.146	2	111.0750	0.021	2	111.0750	0.021	2	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:N-3:Cl-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CClCN)(H)3	C(CC[6a]N[5]H)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(N[5]C[5]2)(CClCN)(H)	C(CClCN)(H)3	110.7560	0.000	1	110.7560	0.000	1	110.7560	0.000	1	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	C(CC[5a]C[6a]H)(CH3)(NOO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CCHN)(H)	C(CCHN)(H)3	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]N[5a]H)(CH3)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	112.4983	0.304	3	112.4983	0.093	3	112.4983	0.093	3	111.8859	0.879	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-3:C-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CC[6a]O)2(CCCH)(H)	C(CCCH)(CN)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CC[6a]O)2(CCCH)(H)	C(CCCH)(CN)(H)2	113.3740	0.000	1	113.3740	0.000	1	113.3740	0.000	1	112.9228	3.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CCHN)(OC)(H)2	C(CC[6a]C[6]H)(CHHO)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C(CCHN)(OC)(H)2	113.3025	3.156	2	113.3025	9.959	2	113.3025	9.959	2	112.9228	3.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CCHN)(OSi)(H)2	C(CC[6a]2H)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	C(CCHN)(OSi)(H)2	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	112.9228	3.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(CCHH)(H)2	112.5890	0.000	1	112.5890	0.000	1	112.5890	0.000	1	112.5550	0.075	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(CH3)(H)2	C(CC[6a]C[5]H)(CCHH)(NOO)(H)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(CH3)(H)2	112.5437	0.333	3	112.5437	0.111	3	112.5437	0.111	3	112.5550	0.075	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	111.7600	0.000	1	111.7600	0.000	1	111.7600	0.000	1	111.4802	3.552	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(OH)(H)	113.7490	0.000	1	113.7490	0.000	1	111.3870	5.276	3	111.4802	3.552	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(OS)(H)	C(CC[6a]2H)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(CH3)(OS)(H)	110.2060	1.478	2	110.2060	2.184	2	111.3870	5.276	3	111.4802	3.552	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(CH3)2(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(CH3)2(H)	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:2:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]2O)(CC[6a]HH)(NHS)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	110.8730	1.599	2	110.8730	2.558	2	110.8730	2.558	2	110.8730	2.558	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:2:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CCCH)(CCHN)(H)2	C(CC[6a]2O)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CCCH)(CCHN)(H)2	111.4847	0.373	3	111.4847	0.139	3	111.4847	0.139	3	111.4847	0.139	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCCH)(COO)	C(CCCH)(H)3	C(CC[6a]CC)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCCH)(COO)	C(CCCH)(H)3	113.2930	0.000	1	113.2930	0.000	1	113.2930	0.000	1	113.1110	0.066	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:3:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:N-3:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C(CCCH)(H)3	C(CC[6a]CN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(COO)	C(CCCH)(H)3	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	113.1110	0.066	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:3:4:3:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	P-4:C-4:H-1:H-1:	C(CC[6a]2N)(CHHP)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(NHH)	C(PC[6a]2O)(CCCH)(H)2	C(CC[6a]2N)(CHHP)(COO)(H)	C(C[6a]C[6a]2)2(CCCH)(NHH)	C(PC[6a]2O)(CCCH)(H)2	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(OC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(OC[6a])(CCHN)(H)2	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	111.9553	3.033	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(SC[6a])(CCHN)(H)2	109.9730	0.000	1	109.9730	0.000	1	111.6060	5.333	2	111.9553	3.033	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(SC[6a])(CCHN)(H)2	C(CC[6a]HH)(CHHS)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(SC[6a])(CCHN)(H)2	113.2390	0.000	1	113.2390	0.000	1	111.6060	5.333	2	111.9553	3.033	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CN[5]O)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CN[5]O)(CCCH)(H)2	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	112.9365	0.655	2	112.9365	0.430	2	111.7476	4.455	8	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	111.8063	1.029	3	111.8063	1.059	3	111.7476	4.455	8	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	110.8963	3.437	3	110.8963	11.812	3	111.7476	4.455	8	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(COO)(H)	C(NC[6a]S)(CCCH)(H)2	C(NC[6a]S)(CCCH)(H)2	C(CHHN)2(COO)(H)	C(NC[6a]S)(CCCH)(H)2	C(NC[6a]S)(CCCH)(H)2	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[5a]HH)(CC[6a]HH)(NCH)(H)	C(C[5a]N[5a]2)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(H)2	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C(NC[6a]C)(CCHN)(H)2	C(CC[6a]HH)(CHHN)(NOO)(H)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C(NC[6a]C)(CCHN)(H)2	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)2(OCu2)(H)	C(C[5]N[5]2)(CCHO)(H)2	C(C[5]N[5]2)(CCHO)(H)2	C(CC[5]HH)2(OCu2)(H)	C(C[5]N[5]2)(CCHO)(H)2	C(C[5]N[5]2)(CCHO)(H)2	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(OCu2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OCu2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	109.2670	0.000	1	109.2670	0.000	1	110.2890	2.089	2	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(OZn2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	C(CN[5]HH)2(OZn2)(H)	C(N[5]C[5]N[5])(CCHO)(H)2	C(N[5]C[5]N[5])(CCHO)(H)2	111.3110	0.000	1	111.3110	0.000	1	110.2890	2.089	2	111.6371	4.104	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:2:1:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CN[5a]HH)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(OC)(H)	113.7215	0.856	2	113.7215	0.733	2	113.7215	0.733	2	112.9640	1.089	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[5]O)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[5]O)(CCHN)(OH)(H)	112.2065	0.487	2	112.2065	0.237	2	112.2065	0.237	2	112.9640	1.089	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:3:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:H-1:	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	C(CC[5a]HH)(CC[6a]CH)(CHO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	112.5695	0.681	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:3:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CC[5a]HH)(CC[6a]HN)(NOO)(H)	C(C[5a]C[5a]O[5a])(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	112.5695	0.681	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	3:4:4:4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C(CC[6a]HH)(CCCN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(NB[5]2)(CCCH)2(CH3)	C(CC[6a]HH)(CCCN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(NB[5]2)(CCCH)2(CH3)	113.4430	0.153	2	113.4430	0.023	2	113.4430	0.023	2	113.4430	0.023	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.0310	0.000	1	110.0310	0.000	1	110.7582	0.429	5	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.9400	0.593	4	110.9400	0.351	4	110.7582	0.429	5	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.4740	0.000	1	111.4740	0.000	1	112.5353	1.459	4	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	112.5250	1.442	2	112.5250	2.081	2	112.5353	1.459	4	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	113.6170	0.000	1	113.6170	0.000	1	112.5353	1.459	4	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(CCH)(H)	C(NC[6a]S)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)(CCH)(H)	C(NC[6a]S)(CCCH)(H)2	C(CCCH)(H)3	113.4090	6.708	2	113.4090	44.992	2	112.4573	25.213	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(CNO)(H)	C(NC[6a]S)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)(CNO)(H)	C(NC[6a]S)(CCCH)(H)2	C(CCCH)(H)3	110.5540	0.000	1	110.5540	0.000	1	112.4573	25.213	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	108.6090	0.000	1	108.6090	0.000	1	108.5700	0.003	2	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]N[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)(CNO)(H)	C(N[5a]N[5a]2)(CCCH)(H)2	C(CCCH)(H)3	108.5310	0.000	1	108.5310	0.000	1	108.5700	0.003	2	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	C(CCHN)(F)3	C(CCFF)(CF3)(NHS)(H)	C(CC[5a]O)(CCHN)(F)2	C(CCHN)(F)3	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NCO)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	110.8370	0.000	1	110.8370	0.000	1	111.0613	0.144	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(F)3	111.1735	0.460	2	111.1735	0.212	2	111.0613	0.144	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NHS)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(H)3	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C(CCHN)(H)3	C(CC[5a]HH)(CH3)(NCN)(H)	C(C[5a]C[5a]S[5a])(CCHN)(H)2	C(CCHN)(H)3	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:F-1:H-1:H-1:	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CCHN)(F)(H)2	C(CC[6a]FH)(CFHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CCHN)(F)(H)2	112.1215	0.074	2	112.1215	0.006	2	112.1215	0.006	2	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(Cl)(H)2	C(CC[6a]HH)(CClHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(Cl)(H)2	111.2363	1.291	3	111.2363	1.667	3	111.2363	1.667	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	111.1240	0.000	1	111.1240	0.000	1	111.5410	0.145	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	111.7495	0.172	2	111.7495	0.030	2	111.5410	0.145	3	111.4145	3.338	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CC[6a]O)(CCHN)(H)2	C(CCHN)(OC)(H)2	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHN)(OSi)(H)2	C(CC[5a]HH)(CHHO)(NHS)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHN)(OSi)(H)2	112.9180	0.341	2	112.9180	0.116	2	112.9180	0.116	2	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CC)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CC)(H)2	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NC)(H)2	109.7375	0.719	2	109.7375	0.517	2	109.7375	0.517	2	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OC)(H)2	109.6107	1.067	29	109.6107	1.140	29	110.0199	1.524	40	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OC)(H)2	109.3250	0.000	1	109.3250	0.000	1	110.0199	1.524	40	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.2326	0.944	8	111.2326	0.891	8	110.0199	1.524	40	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.6690	0.000	1	111.6690	0.000	1	110.0199	1.524	40	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(CHHO)(NIrC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OIr)(H)2	111.2290	0.000	1	111.2290	0.000	1	110.0199	1.524	40	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Se-2:H-1:H-1:	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(SeC)(H)2	C(CC[6a]HH)(CSeHH)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(SeC)(H)2	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.2127	1.754	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	108.9160	0.000	1	108.9160	0.000	1	110.8853	4.799	3	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(COO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	111.8700	1.945	2	111.8700	3.781	2	110.8853	4.799	3	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C(CCCH)(CCO)(H)2	113.5210	0.000	1	113.5210	0.000	1	113.5210	0.000	1	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCH)(H)2	C(CC[6a]HH)(CCHH)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCH)(H)2	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	108.7390	0.495	2	108.7390	0.245	2	108.9235	0.358	4	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	108.5200	0.000	1	108.5200	0.000	1	108.9235	0.358	4	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NNiC)(H)2	C(CC[6a]HH)(CHHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NNiC)(H)2	109.6960	0.000	1	109.6960	0.000	1	108.9235	0.358	4	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CNO)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CNO)(H)2	110.4510	0.000	1	110.4510	0.000	1	110.4510	0.000	1	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:Br-1:Br-1:	C-4:C-3:Br-1:H-1:	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	C(CCHN)(CNO)(Br)(H)	C(CBr2C)(CBrCH)(NHS)(H)	C(CC[6a]O)(CCHN)(Br)2	C(CCHN)(CNO)(Br)(H)	110.7360	0.000	1	110.7360	0.000	1	110.7360	0.000	1	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CCHN)(NNiC)(H)2	C(CC[5a]HH)(CHHN)(NNiC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CCHN)(NNiC)(H)2	112.9550	3.122	3	112.9550	9.744	3	112.9550	9.744	3	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CNO)(H)2	110.8982	1.093	4	110.8982	1.194	4	110.8982	1.194	4	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NCH)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(NCH)(H)2	110.6684	1.967	15	110.6684	3.870	15	110.6684	3.870	15	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(SCO)(H)2	C(CC[6a]HH)(CHHS)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(SCO)(H)2	109.1830	0.000	1	109.1830	0.000	1	109.1830	0.000	1	110.7794	3.859	34	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[6a]HH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(OH)(H)	C(CC[6a]HH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(OH)(H)	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	112.8680	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(COO)2(H)	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	110.8558	3.655	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)2(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)2(H)	110.5885	0.127	2	110.5885	0.016	2	110.5885	0.016	2	110.8558	3.655	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCH)(NCC)(H)	C(CC[6a]HH)(CCHN)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCH)(NCC)(H)	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	110.8558	3.655	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCO)(H)	C(CC[6]C)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCO)(H)	C(CC[6]C)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	113.2976	0.389	5	113.2976	0.152	5	113.2976	0.152	5	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.7860	0.991	2	111.7860	0.983	2	111.7860	0.983	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[3,5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[3,5]HH)(CCCH)(H)2	110.2530	0.000	1	110.2530	0.000	1	111.2916	4.354	9	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5]HH)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5]HH)(CCCH)(H)2	112.4990	0.000	1	112.4990	0.000	1	111.2916	4.354	9	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HH)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CC[5]HO)(CCCH)(H)2	112.1130	2.341	3	112.1130	5.482	3	111.2916	4.354	9	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	107.9240	0.000	1	107.9240	0.000	1	111.2916	4.354	9	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a]HH)(CCHH)(COO)(H)	C(C[5a]C[5a]O[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.5363	1.973	3	111.5363	3.892	3	111.2916	4.354	9	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]ClH)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(Cl)(H)	C(CCCH)(CCHH)(H)2	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)2(H)2	112.3840	0.000	1	112.3840	0.000	1	113.0560	0.903	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	113.7280	0.000	1	113.7280	0.000	1	113.0560	0.903	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	C(CC[6]HH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	C(CC[5,6]O)(CCHN)(H)2	C(CC[6]HH)(CCHN)(H)2	111.6135	0.602	2	111.6135	0.362	2	111.6135	0.362	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:C-4:F-1:H-1:	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CCHN)(CH3)(F)(H)	C(CC[6a]FH)(CCFH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(F)(H)	C(CCHN)(CH3)(F)(H)	110.8815	0.108	2	110.8815	0.012	2	110.8815	0.012	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	111.5280	1.442	16	111.5280	2.079	16	111.6118	1.777	19	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(H)2	112.1750	0.083	2	112.1750	0.007	2	111.6118	1.777	19	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCCH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCCH)(CCHN)(H)2	111.8270	0.000	1	111.8270	0.000	1	111.6118	1.777	19	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(PC[6a]2Ru)(CCHN)(H)2	C(CC[6a]HH)(CHHP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(PC[6a]2Ru)(CCHN)(H)2	110.4870	0.000	1	110.4870	0.000	1	110.4870	0.000	1	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	C(CCCH)(CCHN)(H)2	C(CCHH)(CHHN)(NHS)(H)	C(NC[6a]C)(CCHN)(H)2	C(CCCH)(CCHN)(H)2	111.0345	1.503	2	111.0345	2.258	2	111.0345	2.258	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(ONi2)(H)	C(NC[5]Ni)(CCHO)(H)2	C(NNiCC)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	C(NC[5]Ni)(CCHO)(H)2	C(NNiCC)(CCHO)(H)2	112.9445	1.196	2	112.9445	1.430	2	112.9445	1.430	2	111.8760	2.587	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	112.1040	0.000	1	112.1040	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(OH)(H)	113.4190	0.000	1	113.4190	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHO)(OH)(H)	111.3730	0.000	1	111.3730	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	112.2096	1.367	5	112.2096	1.869	5	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHN)(OH)(H)	111.5827	1.158	3	111.5827	1.340	3	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHS)(OH)(H)	111.3470	0.000	1	111.3470	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)2(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)2(OH)(H)	110.8470	0.000	1	110.8470	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	113.2700	2.297	2	113.2700	5.275	2	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	112.6785	1.480	2	112.6785	2.190	2	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	C(CC[6a]HH)(CCHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(OH)(H)	112.3550	0.656	2	112.3550	0.431	2	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CCHO)(OH)(H)	109.8185	0.537	2	109.8185	0.288	2	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHS)(OH)(H)	C(CC[6a]HH)(CCHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHHS)(OH)(H)	113.1160	0.000	1	113.1160	0.000	1	112.0112	1.829	22	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:P-4:O-2:H-1:	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(PO3)(OH)(H)	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	111.9597	1.807	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CB[5]HH)(CCCH)(CHO)(H)	C(B[5]O[5]2)(CCCH)(H)2	C(CCCH)(CH3)(CCH)(H)	C(CB[5]HH)(CCCH)(CHO)(H)	C(B[5]O[5]2)(CCCH)(H)2	C(CCCH)(CH3)(CCH)(H)	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	112.9648	3.250	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHN)(COO)(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHN)(COO)(H)	111.8500	0.000	1	111.8500	0.000	1	112.6415	1.253	2	112.9648	3.250	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(CCH)(H)	113.4330	0.000	1	113.4330	0.000	1	112.6415	1.253	2	112.9648	3.250	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CSiHH)(CCCH)(NHS)(H)	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	112.9648	3.250	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CFFS)(NHS)(H)	111.7240	1.981	2	111.7240	3.926	2	111.7240	3.926	2	112.9648	3.250	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C[5,6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C(CCCH)(CH3)2(H)	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCCH)(H)2	C(CCCH)(CH3)2(H)	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(CHHN)(H)	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(NCCH)(H)	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	C(NC[3]C)(CCHN)(H)2	C(CCHN)(CH3)2(H)	112.5080	0.000	1	112.5080	0.000	1	112.5080	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NHS)(H)	C(N[6]C[6]2)(CCHN)(H)2	C(CCHN)(CH3)2(H)	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:S-3:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[5]HH)(CCCH)(SRhC)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	C(CN[5]HH)(CCCH)(SRhC)(H)	C(N[5]C[5]2)(CCHS)(H)2	C(CCHS)(CH3)2(H)	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	111.6980	1.030	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:2:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(OH)	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(CNO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(CNO)	114.7080	0.000	1	114.7080	0.000	1	113.2745	4.110	2	113.8987	3.224	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(COO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(COO)	111.8410	0.000	1	111.8410	0.000	1	113.2745	4.110	2	113.8987	3.224	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:3:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:N-3:	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(NOO)	C(CC[6a]HH)(CCCN)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)2(NOO)	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	113.8987	3.224	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHH)(CCHN)(CH3)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHH)(CCHN)(CH3)2	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	114.9385	0.319	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)3	C(CC[6a]HH)(CC3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH3)3	115.3380	0.000	1	115.3380	0.000	1	115.3380	0.000	1	114.9385	0.319	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:3:4:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(C[6a]C[6a]2)2(CCCH)(H)	111.8080	0.339	2	111.8080	0.115	2	111.8080	0.115	2	111.8080	0.115	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6a]HO)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	111.6865	0.101	2	111.6865	0.010	2	111.6865	0.010	2	112.3790	0.814	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HO)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(N[5]C[5]2)(CCCH)(H)2	113.1455	1.551	2	113.1455	2.405	2	113.1455	2.405	2	112.3790	0.814	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	P-3:C-4:H-1:H-1:	C(CC[6a]HO)(CHHP)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(PC[6a]2)(CCCH)(H)2	C(CC[6a]HO)(CHHP)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(PC[6a]2)(CCCH)(H)2	111.9080	0.000	1	111.9080	0.000	1	111.9080	0.000	1	112.3790	0.814	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(H)2	112.5405	0.244	2	112.5405	0.060	2	112.5405	0.060	2	112.3790	0.814	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	3:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	111.4600	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HO)(CClHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(Cl)(H)2	C(CC[6a]HO)(CClHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(Cl)(H)2	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]HO)(CF3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(F)3	C(CC[6a]HO)(CF3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(F)3	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	110.7040	0.130	2	110.7040	0.017	2	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	111.4550	0.828	3	111.4550	0.686	3	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	110.9702	0.976	5	110.9702	0.952	5	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCN)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	111.5760	0.000	1	111.5760	0.000	1	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	110.5468	0.858	4	110.5468	0.736	4	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	112.2820	0.000	2	112.2820	0.000	2	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	113.2070	0.035	2	113.2070	0.001	2	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	110.9220	0.000	1	110.9220	0.000	1	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	112.3680	0.000	1	112.3680	0.000	1	111.3645	1.074	21	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HS)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C(CCCH)(H)3	C(CC[6a]HS)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(SC)(H)	C(CCCH)(H)3	111.3960	1.228	2	111.3960	1.507	2	111.3960	1.507	2	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCH)(H)	C(NC[6a]C)(CCCH)(CN)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCH)(H)	C(NC[6a]C)(CCCH)(CN)(H)	C(CCCH)(H)3	110.7810	0.000	1	110.7810	0.000	1	110.7810	0.000	1	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CCHO)(CH3)(NCC)(H)	C(CC[5a]O)(CCHN)(OH)(H)	C(CCHN)(H)3	112.0910	0.000	1	112.0910	0.000	1	112.0910	0.000	1	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CCHN)(H)3	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	111.1226	0.881	10	111.1226	0.777	10	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	112.4941	0.990	9	112.4941	0.980	9	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	109.0120	0.000	1	109.0120	0.000	1	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	112.8600	0.690	7	112.8600	0.476	7	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(H)3	111.2092	0.909	4	111.2092	0.827	4	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	111.2542	1.180	4	111.2542	1.392	4	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCP)(H)	C(C[6a]C[6a]2)(CCHN)(OP)(H)	C(CCHN)(H)3	110.9010	0.000	1	110.9010	0.000	1	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	111.6110	0.000	1	111.6110	0.000	1	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	116.1280	0.000	1	116.1280	0.000	1	111.8737	1.915	38	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CCHN)(H)3	113.7230	0.000	1	113.7230	0.000	1	113.3640	0.258	2	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CCHN)(H)3	C(CC[6a]HS)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(SC)(H)	C(CCHN)(H)3	113.0050	0.000	1	113.0050	0.000	1	113.3640	0.258	2	111.7072	1.599	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CC)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CC)(H)2	112.1865	0.340	2	112.1865	0.116	2	112.1865	0.116	2	112.1623	1.050	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HN)(CHHO)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CCHN)(OH)(H)2	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	112.1623	1.050	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(OC)(H)2	111.2397	0.242	3	111.2397	0.059	3	112.1420	1.806	5	112.1623	1.050	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OC)(H)2	C(CC[6a]HO)(CHHO)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OC)(H)2	114.2030	0.000	1	114.2030	0.000	1	112.1420	1.806	5	112.1623	1.050	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NHH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	112.7880	0.000	1	112.7880	0.000	1	112.1420	1.806	5	112.1623	1.050	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(NN)(H)	C(CCCH)(NOO)(H)2	C(CCHN)(CHHN)(CCH)(H)	C(CC[6a]O)(CCCH)(NN)(H)	C(CCCH)(NOO)(H)2	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	109.9240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5,5]HH)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OC)(H)	C(CC[5,5]HH)(CCCH)(H)2	110.6340	0.000	1	110.6340	0.000	1	112.7786	1.905	5	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	C(CC[5a]HO)(CCHH)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCCH)(OH)(H)	C(CC[5]HO)(CCCH)(H)2	113.3148	0.790	4	113.3148	0.624	4	112.7786	1.905	5	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HO)(CCHH)(CCF)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CCCH)(H)2	110.6950	0.000	1	110.6950	0.000	1	111.8239	0.573	9	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)2(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)2(H)2	110.7690	0.000	1	110.7690	0.000	1	111.8239	0.573	9	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	111.6410	0.146	2	111.6410	0.021	2	111.8239	0.573	9	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	112.2210	0.429	4	112.2210	0.184	4	111.8239	0.573	9	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(CCHH)(H)2	112.7850	0.000	1	112.7850	0.000	1	111.8239	0.573	9	112.1649	1.164	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HO)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)2(NCC)(H)	115.8150	2.260	2	115.8150	5.107	2	115.8150	5.107	2	114.3125	4.715	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:3:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CCHN)(CH3)(COO)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	C(CCHN)(CH3)(COO)(H)	112.8100	0.082	2	112.8100	0.007	2	112.8100	0.007	2	114.3125	4.715	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	112.6420	0.958	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	112.3360	1.164	2	112.3360	1.355	2	112.3360	1.355	2	112.6420	0.958	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(CH3)3	C(CC[6a]HO)(CC3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(OC)(H)	C(CCHN)(CH3)3	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:2:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(C[6a]C[6a]2)(CCHN)(H)2	112.6900	0.000	1	112.6900	0.000	1	112.3025	0.300	2	112.3025	0.300	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:2:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(C[6a]C[6a]2)(CCHN)(H)2	111.9150	0.000	1	111.9150	0.000	1	112.3025	0.300	2	112.3025	0.300	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:2:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CCCH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CCCH)(CCHN)(H)2	111.3120	0.000	1	111.3120	0.000	1	111.3185	0.000	2	111.3185	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:2:2:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CCHH)(CCHN)(H)2	C(CC[6a]CO)(CCHH)(NCS)(H)	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CCHH)(CCHN)(H)2	111.3250	0.000	1	111.3250	0.000	1	111.3185	0.000	2	111.3185	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-3:F-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(F)	C(C[6a]C[6a]2)(CCCF)(NHS)(H)	C(C[6a]C[6a]2)(CCCF)(H)2	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	110.5098	2.089	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CC[6a]O)(CCCH)(H)2	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	110.5098	2.089	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CC[6a]HN)(CN[5]HH)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(N[5]C[5]2)(CCCH)(H)2	110.2616	1.654	7	110.2616	2.737	7	110.2616	2.737	7	110.5098	2.089	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5]CH)(COO)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.7255	0.289	2	110.7255	0.084	2	110.7255	0.084	2	110.5098	2.089	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	3:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	111.1005	1.306	2	111.1005	1.706	2	111.1005	1.706	2	111.1005	1.706	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCH)(H)	C(CN[5]S)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCH)(H)	C(CN[5]S)(CCCH)(NCH)(H)	C(CCCH)(H)3	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CCC)(H)	C(CCCH)(H)3	110.9790	0.000	1	110.9790	0.000	1	113.7450	9.448	3	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	117.0540	0.000	1	117.0540	0.000	1	113.7450	9.448	3	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	113.2020	0.000	1	113.2020	0.000	1	113.7450	9.448	3	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.2060	1.424	4	111.2060	2.028	4	112.5019	5.717	9	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	113.6530	0.000	1	113.6530	0.000	1	112.5019	5.717	9	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	116.0265	0.552	2	116.0265	0.305	2	112.5019	5.717	9	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	C(CCCH)(H)3	110.0160	0.000	1	110.0160	0.000	1	112.5019	5.717	9	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	111.9710	0.000	1	111.9710	0.000	1	112.5019	5.717	9	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCO)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCO)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(H)3	112.6480	0.000	1	112.6480	0.000	1	112.6480	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:Cl-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CClCN)(H)3	C(CC[6a]HN)(CH3)(NOO)(Cl)	C(C[6a]C[6a]2)(CClCN)(NHS)(H)	C(CClCN)(H)3	115.5300	0.000	2	115.5300	0.000	2	115.5300	0.000	2	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(H)3	C(CCHN)(CH3)(NCH)(H)	C(CN[6]O)(CCHN)(NCH)(H)	C(CCHN)(H)3	114.4640	0.000	1	114.4640	0.000	1	114.4640	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C(CCHN)(H)3	C(CC[5]CH)(CH3)(NOO)(H)	C(C[5]C[5]N[5])(CCHN)(COO)(H)	C(CCHN)(H)3	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C(CCHN)(H)3	C(CC[5a]CH)(CH3)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CCHN)(COO)(H)	C(CCHN)(H)3	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CCHN)(F)3	C(CC[6a]CH)(CF3)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CCHN)(F)3	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(CCHN)(H)3	112.9615	1.593	6	112.9615	2.537	6	113.5512	3.743	8	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCO)(H)	C(CCHN)(H)3	113.7130	0.000	1	113.7130	0.000	1	113.5512	3.743	8	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CCHN)(H)3	C(CC[6a]HN)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CCHN)(H)3	116.9280	0.000	1	116.9280	0.000	1	113.5512	3.743	8	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	N-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(F)3	C(CCHN)(CF3)(NHS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	C(CCHN)(F)3	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CCHN)(H)3	C(CN[5]CH)(CH3)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	C(CCHN)(H)3	112.2207	1.676	3	112.2207	2.810	3	112.2207	2.810	3	113.0288	4.464	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]CH)(CCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)(COO)(H)	C(CCCH)(COO)(H)2	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	111.1942	5.098	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CCCH)(CCH)(H)2	110.8680	0.363	2	110.8680	0.132	2	110.8680	0.132	2	111.1942	5.098	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	S-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHS)(COO)(H)	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCCH)(CCO)(H)2	C(CCHH)(CCHS)(COO)(H)	C(SC[6a]O)(CCCH)(CCO)(H)	C(CCCH)(CCO)(H)2	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	111.1942	5.098	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	C(CC[6a]HN)(CCHH)(NCC)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	111.1942	5.098	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:3:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]CH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(CCH)(NCC)(H)	C(CC[6a]CH)(CCHN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(CCH)(NCC)(H)	109.7420	5.586	2	109.7420	31.205	2	109.7420	31.205	2	109.7420	31.205	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HN)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(CCHH)(H)2	112.9720	0.775	3	112.9720	0.601	3	112.9720	0.601	3	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CN[5]CH)(CCHH)(CCH)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	111.2725	0.135	2	111.2725	0.018	2	111.2725	0.018	2	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:F-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	C(CCHH)(CCHN)(H)2	C(CC[6a]CF)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(F)	C(CCHH)(CCHN)(H)2	112.2880	1.325	2	112.2880	1.756	2	112.2880	1.756	2	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(CH3)(H)2	C(CC[6a]CH)(CCHH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(CH3)(H)2	113.6530	1.130	2	113.6530	1.277	2	113.4135	1.080	4	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(CCF)(H)	C(CC[6a]HH)(CCHN)(H)2	112.2430	0.000	1	112.2430	0.000	1	113.4135	1.080	4	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CCHH)(CCHN)(H)2	114.1050	0.000	1	114.1050	0.000	1	113.4135	1.080	4	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	Si-4:C-4:H-1:H-1:	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	C(CC[6a]CH)(CSiHH)(NHS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(C[6]C[6]2H)(CCHN)(H)2	C(CC[6a]HN)(CC[6]HH)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(NCC)(H)	C(C[6]C[6]2H)(CCHN)(H)2	114.5470	0.000	1	114.5470	0.000	1	114.5470	0.000	1	112.9304	1.412	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HN)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HN)(CCHO)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(NHH)(H)	C(CCCH)(CH3)(OH)(H)	113.1520	0.393	2	113.1520	0.155	2	113.1520	0.155	2	113.1520	0.155	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(CCCH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CH3)2(H)	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	113.1613	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(CH3)2(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(C[6a]C[6a]2)(CCHN)(CCH)(H)	C(CCHN)(CH3)2(H)	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	113.1613	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CCHN)(CH3)2(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	C(CCHN)(CH3)2(H)	112.9990	0.000	1	112.9990	0.000	1	112.9990	0.000	1	113.1613	0.150	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	3:3:4:2:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	C(CC[6a]2O)(CC[6a]CH)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	114.4880	1.075	4	114.4880	1.155	4	114.4880	1.155	4	114.4880	1.155	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	3:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	110.9650	0.000	1	110.9650	0.000	1	112.4550	4.440	2	112.4550	4.440	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	3:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	113.9450	0.000	1	113.9450	0.000	1	112.4550	4.440	2	112.4550	4.440	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	3:4:3:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	C(CC[6a]CH)(CC[6a]HN)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCC)(H)	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	111.5130	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CC[6a]CH)2(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	113.3370	1.650	3	113.3370	2.722	3	113.3370	2.722	3	113.3370	2.722	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)(CCH)(H)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)(CCH)(H)	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(CCCH)(H)3	111.8075	0.295	2	111.8075	0.087	2	111.8075	0.087	2	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCH)(H)3	110.8430	0.000	1	110.8430	0.000	1	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	113.5100	0.000	1	113.5100	0.000	1	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	111.3000	0.000	1	111.3000	0.000	1	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	110.9455	1.828	2	110.9455	3.341	2	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	112.7560	0.369	2	112.7560	0.136	2	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(H)	C(CCCH)(H)3	110.6810	0.000	1	110.6810	0.000	1	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)(COS)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(H)3	112.5325	0.568	2	112.5325	0.322	2	111.8802	1.493	10	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NOO)(H)	C(CC[6a]O)(CCCH)(CCHN)(H)	C(CCHN)(H)3	113.3780	0.000	1	113.3780	0.000	1	113.3780	0.000	1	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHN)(H)3	115.4150	0.000	1	115.4150	0.000	1	114.3766	0.741	5	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CCHN)(H)3	113.5150	0.194	2	113.5150	0.038	2	114.3766	0.741	5	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CHHS)(H)	C(CCHN)(H)3	114.7190	0.359	2	114.7190	0.129	2	114.3766	0.741	5	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CCHN)(H)	C(CCHN)(H)3	111.2525	0.579	2	111.2525	0.335	2	111.2525	0.335	2	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]C[5]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C(CCHN)(H)3	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]C[6]H)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHN)(H)	C(CCHN)(H)3	112.1430	0.817	4	112.1430	0.668	4	112.1430	0.668	4	112.4703	1.911	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CCHN)(CCC)(H)2	C(CC[5a]CH)(CCHH)(NOO)(H)	C(C[5a]C[5a]S[5a])(CCHN)(CHHN)(H)	C(CCHN)(CCC)(H)2	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:3:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C(CC[6a]CH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CCCH)(COO)(OH)(H)	C(CC[6a]CH)(CCHO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(CCCH)(COO)(OH)(H)	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	113.4360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CHO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CH3)(H)2	111.2650	0.000	1	111.2650	0.000	1	112.0678	5.559	4	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)2(H)	C(CCCH)(CH3)(H)2	C(CC[6a]CH)(CCHH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)2(H)	C(CCCH)(CH3)(H)2	110.3980	0.000	1	110.3980	0.000	1	112.0678	5.559	4	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CCHH)(H)2	115.5610	0.000	1	115.5610	0.000	1	112.0678	5.559	4	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CHHN)(H)	C(CCCH)(CCHH)(H)2	111.0470	0.000	1	111.0470	0.000	1	112.0678	5.559	4	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CC[6a]O)(CCHN)(CH3)(H)	C(CCHN)(CH3)(H)2	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CCHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NHS)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CCHH)(CCHN)(H)2	113.8340	0.000	1	113.8340	0.000	1	113.8340	0.000	1	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CCCH)(CCHN)(H)2	C(CN[5]CH)(CCHH)(NCH)(H)	C(N[5]C[5]2)(CCHN)(CCHO)(H)	C(CCCH)(CCHN)(H)2	112.9835	0.059	2	112.9835	0.003	2	112.9835	0.003	2	112.7007	2.917	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:B-3:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]CH)(CCCH)(BCC)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(C[6a]C[6a]2)(CBCH)(CCHO)(H)	C(CSiHH)(CBCH)(CCHH)(H)	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	117.1765	8.866	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NOO)(H)	C(CN[5]O)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	117.1765	8.866	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:1:	4:4:4:2:	C-4:C-4:C-3:H-1:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C(CC[4]CH)(CCCO)(CCH)(H)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(OH)	C(CC[4]CH)(CCCO)(CCH)(H)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CCCH)(CH3)2(OH)	116.4370	0.000	1	116.4370	0.000	1	116.4370	0.000	1	116.4370	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	3:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CO)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCH)(OH)	C(CCCH)(H)3	111.7570	0.000	1	111.7570	0.000	1	112.6676	3.118	7	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CHN)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CCCH)(H)3	114.6110	0.000	2	114.6110	0.000	2	112.6676	3.118	7	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(CF3)(OH)	C(CCCH)(H)3	110.6830	1.188	2	110.6830	1.411	2	112.6676	3.118	7	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(OC)	C(CCCH)(H)3	113.1640	0.737	2	113.1640	0.543	2	112.6676	3.118	7	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(OH)	C(CCHN)(H)3	112.8690	0.369	2	112.8690	0.136	2	112.4030	0.720	3	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CCHN)(H)3	C(CC[6a]CO)(CH3)(NOO)(H)	C(C[6a]C[6a]2)(CCHN)(CF3)(OH)	C(CCHN)(H)3	111.4710	0.000	1	111.4710	0.000	1	112.4030	0.720	3	112.5882	2.255	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:2:	4:2:1:1:	C-4:C-4:N-3:H-1:	N[6]-3:C-4:C-4:C-2:	C-4:O-2:H-1:H-1:	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CCHN)(OSi)(H)2	C(CN[6]CC)(CHHO)(NHS)(H)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CCHN)(OSi)(H)2	112.1275	0.301	2	112.1275	0.090	2	112.1275	0.090	2	112.1275	0.090	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:3:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(CHO)	C(CCCH)(COO)(H)2	112.6940	0.317	2	112.6940	0.100	2	112.6940	0.100	2	112.6940	0.100	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	3:4:4:4:	3:4:2:1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-4:N-4:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]CN)(CC[6a]HO)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	112.9570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	C(CH3)2(CNO)(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	111.4869	0.775	8	111.4869	0.600	8	112.0555	1.092	13	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	C(CH3)2(COO)(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	112.9654	0.737	5	112.9654	0.543	5	112.0555	1.092	13	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCC)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCC)(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.7472	1.043	36	110.7472	1.088	36	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCH)(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.0388	4.116	13	109.0388	16.945	13	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCI)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCI)(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4640	0.000	1	110.4640	0.000	1	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.0691	1.239	11	111.0691	1.535	11	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.0724	1.018	22	111.0724	1.036	22	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CCS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6480	0.000	1	110.6480	0.000	1	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CHN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	112.8973	2.787	3	112.8973	7.769	3	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CNN)(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5673	0.372	3	111.5673	0.138	3	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CNO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5035	2.425	55	111.5035	5.881	55	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(COO)(H)	C(CCCH)(H)3	C(CCCH)(H)3	112.8001	4.370	49	112.8001	19.095	49	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(COS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.7490	0.000	1	111.7490	0.000	1	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CSS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CH3)2(CSS)(H)	C(CCCH)(H)3	C(CCCH)(H)3	117.0980	0.000	1	117.0980	0.000	1	111.4949	9.003	196	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NBC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NBC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8941	1.743	129	111.8941	3.039	129	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NBH)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NBH)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.6790	0.000	1	110.6790	0.000	1	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCC)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.0668	1.418	710	112.0668	2.010	710	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCH)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCH)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.8733	1.064	301	111.8733	1.132	301	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.7128	2.028	30	112.7128	4.114	30	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCO)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCO)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.8383	1.709	3	110.8383	2.922	3	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2884	1.716	248	111.2884	2.946	248	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.9873	0.692	6	111.9873	0.478	6	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCU)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCU)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1692	1.092	30	110.1692	1.192	30	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCV)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCV)(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.7780	0.763	6	109.7780	0.581	6	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCW)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCW)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1872	1.031	20	111.1872	1.064	20	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCY)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NCY)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3409	1.036	31	110.3409	1.073	31	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NHN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NHN)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5980	0.000	1	111.5980	0.000	1	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NHP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NHP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.2336	0.890	86	111.2336	0.791	86	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NHS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NHS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.5500	1.353	2	112.5500	1.832	2	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NPP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NPP)(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.5236	1.436	28	111.5236	2.061	28	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NPU)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NPU)(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.7980	0.687	2	109.7980	0.472	2	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NPV)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NPV)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.5498	0.481	4	110.5498	0.232	4	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NSS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NSS)(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.3550	0.000	1	113.3550	0.000	1	111.7635	2.195	1639	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OCV)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OCV)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.0295	0.421	2	113.0295	0.177	2	113.1437	0.128	3	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(OHU)(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(CH3)2(OHU)(H)	C(CCHO)(H)3	C(CCHO)(H)3	113.3720	0.000	1	113.3720	0.000	1	113.1437	0.128	3	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PCC)(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3943	1.214	134	110.3943	1.473	134	110.5219	1.365	193	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PCN)(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7878	1.026	46	110.7878	1.053	46	110.5219	1.365	193	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PCO)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PCO)(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8005	0.264	4	110.8005	0.069	4	110.5219	1.365	193	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PCP)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PCP)(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8675	1.250	8	110.8675	1.563	8	110.5219	1.365	193	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PNN)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PNN)(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5020	0.000	1	111.5020	0.000	1	110.5219	1.365	193	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SCW)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SCW)(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.4810	0.000	1	112.4810	0.000	1	112.4545	0.001	2	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(SNO)(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(CH3)2(SNO)(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.4280	0.000	1	112.4280	0.000	1	112.4545	0.001	2	111.6252	2.888	2046	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)(CCC)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	111.0420	0.000	1	111.0420	0.000	1	109.1551	3.628	7	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)(CCH)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	108.6846	2.054	5	108.6846	4.221	5	109.1551	3.628	7	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)(CCO)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	109.6210	0.000	1	109.6210	0.000	1	109.1551	3.628	7	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CN)(H)2	C(CCHN)(H)3	109.7740	0.000	1	109.7740	0.000	1	109.7740	0.000	1	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NC)(H)2	C(CCHN)(H)3	110.1960	0.000	1	110.1960	0.000	1	110.1960	0.000	1	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OC)(H)2	C(CCHN)(H)3	110.8205	0.867	4	110.8205	0.752	4	111.6876	6.511	18	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	112.4163	5.772	3	112.4163	33.315	3	111.6876	6.511	18	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OC)(H)2	C(CCHN)(H)3	111.5387	2.364	4	111.5387	5.589	4	111.6876	6.511	18	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NCH)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	112.4884	1.809	5	112.4884	3.273	5	111.6876	6.511	18	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NHS)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	110.6240	1.334	2	110.6240	1.778	2	111.6876	6.511	18	110.9049	6.411	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(COO)(H)	C(CCCH)(OP)(H)2	C(CCCH)(OP)(H)2	C(CHHO)2(COO)(H)	C(CCCH)(OP)(H)2	C(CCCH)(OP)(H)2	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:P-2:H-1:H-1:	C-4:P-2:H-1:H-1:	C(CHHP)2(CNO)(H)	C(CCCH)(PRe)(H)2	C(CCCH)(PRe)(H)2	C(CHHP)2(CNO)(H)	C(CCCH)(PRe)(H)2	C(CCCH)(PRe)(H)2	115.4330	0.000	1	115.4330	0.000	1	114.4810	1.813	2	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:P-2:H-1:H-1:	C-4:P-2:H-1:H-1:	C(CHHP)2(CNO)(H)	C(CCCH)(PW)(H)2	C(CCCH)(PW)(H)2	C(CHHP)2(CNO)(H)	C(CCCH)(PW)(H)2	C(CCCH)(PW)(H)2	113.5290	0.000	1	113.5290	0.000	1	114.4810	1.813	2	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(CNO)(H)	C(CCCH)(SPt)(H)2	C(CCCH)(SPt)(H)2	C(CHHS)2(CNO)(H)	C(CCCH)(SPt)(H)2	C(CCCH)(SPt)(H)2	111.5490	0.000	1	111.5490	0.000	1	112.4357	0.590	3	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHS)2(COO)(H)	C(CCCH)(SPt)(H)2	C(CCCH)(SPt)(H)2	C(CHHS)2(COO)(H)	C(CCCH)(SPt)(H)2	C(CCCH)(SPt)(H)2	112.8790	0.020	2	112.8790	0.000	2	112.4357	0.590	3	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	C(CHHO)2(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	110.4767	0.663	3	110.4767	0.440	3	110.5714	3.561	5	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	C(CHHO)2(NOO)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	113.2920	0.000	1	113.2920	0.000	1	110.5714	3.561	5	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	C(CCHN)(ON)(H)2	C(CHHO)2(NOO)(H)	C(CCHN)(ON)(H)2	C(CCHN)(ON)(H)2	108.1350	0.000	1	108.1350	0.000	1	110.5714	3.561	5	111.9291	4.027	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	C(CCHN)(CH3)3	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NP)(H)2	C(CCHN)(CH3)3	113.3290	0.243	2	113.3290	0.059	2	113.3290	0.059	2	113.0910	2.677	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	C(CCHN)(CH3)3	C(CHHO)(CC3)(NCH)(H)	C(CCHN)(OP)(H)2	C(CCHN)(CH3)3	112.9323	2.287	3	112.9323	5.230	3	112.9323	5.230	3	113.0910	2.677	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CHOO)(CH3)(CCO)(Br)	C(CBrCC)(OC[6])(OC)(H)	C(CBrCC)(H)3	C(CHOO)(CH3)(CCO)(Br)	C(CBrCC)(OC[6])(OC)(H)	C(CBrCC)(H)3	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:2:2:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	C(CCHN)2(OH)(H)	C(CCHO)(CHOO)(NOO)(H)	C(CCHN)(OC)2(H)	C(CCHN)2(OH)(H)	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	111.2760	0.327	2	111.2760	0.107	2	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	109.9820	0.762	6	109.9820	0.581	6	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	109.6095	0.333	2	109.6095	0.111	2	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	112.1820	0.000	1	112.1820	0.000	1	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	110.1320	0.000	1	110.1320	0.000	1	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	110.4885	2.196	2	110.4885	4.821	2	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNS)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	109.6700	0.000	1	109.6700	0.000	1	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	107.5545	3.367	2	107.5545	11.334	2	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	111.6310	0.970	2	111.6310	0.941	2	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	111.7583	1.174	6	111.7583	1.378	6	110.5418	2.689	25	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(F)3	C(CHHN)(CF3)(CNO)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(F)3	110.6580	1.087	3	110.6580	1.182	3	110.6580	1.182	3	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	C(CCHN)(H)3	C(CBrCH)(CH3)(NCH)(H)	C(CCHN)(COS)(Br)(H)	C(CCHN)(H)3	113.7340	0.000	1	113.7340	0.000	1	113.7340	0.000	1	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	C(CCHN)(H)3	C(CClCH)(CH3)(NHS)(H)	C(CCHN)(CCH)(Cl)(H)	C(CCHN)(H)3	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(F)3	110.8225	0.689	4	110.8225	0.475	4	110.9423	0.384	7	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NCH)(H)	C(CCHN)(COO)(H)2	C(CCHN)(F)3	111.4515	0.120	2	111.4515	0.014	2	110.9423	0.384	7	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NHN)(H)	C(CCHN)(COO)(H)2	C(CCHN)(F)3	110.4030	0.000	1	110.4030	0.000	1	110.9423	0.384	7	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(H)3	110.1250	0.000	1	110.1250	0.000	1	110.8933	0.354	6	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CNO)(H)2	C(CCHN)(H)3	110.9817	0.532	3	110.9817	0.283	3	110.8933	0.354	6	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(COO)(H)2	C(CCHN)(H)3	111.1450	0.683	2	111.1450	0.467	2	110.8933	0.354	6	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(H)3	107.0060	0.000	1	107.0060	0.000	1	110.3364	1.973	18	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(H)3	110.5324	1.167	17	110.5324	1.363	17	110.3364	1.973	18	110.6500	2.001	61	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCC)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(OH)(H)2	112.7680	0.000	1	112.7680	0.000	1	111.0845	5.668	2	111.0845	5.668	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(OH)(H)2	109.4010	0.000	1	109.4010	0.000	1	111.0845	5.668	2	111.0845	5.668	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(H)	C(CCCH)(COO)(H)2	C(CCCH)(COO)(H)2	C(CCHH)2(COO)(H)	C(CCCH)(COO)(H)2	C(CCCH)(COO)(H)2	110.5510	0.000	1	110.5510	0.000	1	110.5510	0.000	1	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CHHS)2(CNO)(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(SFe2)(H)2	C(CHHS)2(CNO)(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(SFe2)(H)2	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(NCC)(H)2	C(CHHN)2(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(NCC)(H)2	113.8935	0.824	2	113.8935	0.679	2	112.3877	7.142	3	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	C(CCHN)(NHN)(H)2	C(CHHN)2(NHN)(H)	C(CCHN)(NHN)(H)2	C(CCHN)(NHN)(H)2	109.3760	0.000	1	109.3760	0.000	1	112.3877	7.142	3	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OCoB)(H)	C(CCHO)(NCoC)(H)2	C(CCHO)(NCoC)(H)2	C(CHHN)2(OCoB)(H)	C(CCHO)(NCoC)(H)2	C(CCHO)(NCoC)(H)2	109.5845	1.060	2	109.5845	1.124	2	111.5158	11.889	14	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OCu2)(H)	C(CCHO)(NCuC)(H)2	C(CCHO)(NCuC)(H)2	C(CHHN)2(OCu2)(H)	C(CCHO)(NCuC)(H)2	C(CCHO)(NCuC)(H)2	115.0580	4.904	4	115.0580	24.052	4	111.5158	11.889	14	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(OFe2)(H)	C(CCHO)(NFeC)(H)2	C(CCHO)(NFeC)(H)2	C(CHHN)2(OFe2)(H)	C(CCHO)(NFeC)(H)2	C(CCHO)(NFeC)(H)2	110.7628	0.877	5	110.7628	0.770	5	111.5158	11.889	14	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(ONi2)(H)	C(CCHO)(NNiC)(H)2	C(CCHO)(NNiC)(H)2	C(CHHN)2(ONi2)(H)	C(CCHO)(NNiC)(H)2	C(CCHO)(NNiC)(H)2	109.3353	1.314	3	109.3353	1.727	3	111.5158	11.889	14	111.7401	9.884	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(H)2	C(CCHH)2(CCO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(H)2	112.5750	0.000	2	112.5750	0.000	2	112.5750	0.000	2	112.9476	2.723	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	C(CCHN)(CHHO)(H)2	C(CCFH)(CCHH)(NCC)(H)	C(CCHN)(COO)(F)(H)	C(CCHN)(CHHO)(H)2	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	112.9476	2.723	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(OAl2)(H)2	C(CCHO)(CH3)(H)2	C(CCHH)(CHHO)(OAl2)(H)	C(CCHO)(OAl2)(H)2	C(CCHO)(CH3)(H)2	114.7830	0.033	2	114.7830	0.001	2	114.7830	0.001	2	112.9476	2.723	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(SFe2)(H)2	C(CCHS)(CH3)(H)2	C(CCHH)(CHHS)(SFe2)(H)	C(CCHS)(SFe2)(H)2	C(CCHS)(CH3)(H)2	113.0105	0.006	2	113.0105	0.000	2	113.0105	0.000	2	112.9476	2.723	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.7043	0.449	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CCO)(H)2	C(CCHN)(CH3)2(H)	114.0800	0.000	1	114.0800	0.000	1	114.0800	0.000	1	114.7043	0.449	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(OFe2)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NFeC)(H)	C(CCHN)(OFe2)(H)2	C(CCHN)(CH3)2(H)	115.1270	0.742	2	115.1270	0.551	2	115.1270	0.551	2	114.7043	0.449	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	C(CCHN)(CH3)3	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(COO)(H)2	C(CCHN)(CH3)3	113.4377	0.400	4	113.4377	0.160	4	113.4377	0.160	4	113.5240	0.157	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(CH3)3	C(CHHN)(CC3)(NCH)(H)	C(CCHN)(NCC)(H)2	C(CCHN)(CH3)3	113.8690	0.000	1	113.8690	0.000	1	113.8690	0.000	1	113.5240	0.157	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NC)(H)	C(CCCH)(H)3	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	110.5637	0.674	3	110.5637	0.454	3	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(H)3	109.7350	0.092	2	109.7350	0.008	2	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCC)(OSi)(H)	C(CCCH)(H)3	109.4070	0.000	1	109.4070	0.000	1	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	111.6920	1.225	2	111.6920	1.500	2	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	110.8735	0.207	2	110.8735	0.043	2	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OS)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CNO)(OS)(H)	C(CCCH)(H)3	110.8080	0.000	1	110.8080	0.000	1	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	110.6440	0.000	1	110.6440	0.000	1	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	110.8830	0.000	1	110.8830	0.000	1	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(H)3	114.0780	0.000	1	114.0780	0.000	1	110.8651	1.474	14	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	C(CCHN)(F)3	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(CCH)(OC)(H)	C(CCHN)(F)3	111.8740	0.000	1	111.8740	0.000	1	111.5355	1.239	4	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	C(CCHN)(F)3	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OC)(H)	C(CCHN)(F)3	110.1240	0.000	1	110.1240	0.000	1	111.5355	1.239	4	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(F)3	C(CCHO)(CF3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(F)3	112.0720	1.017	2	112.0720	1.034	2	111.5355	1.239	4	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(H)3	C(CCHO)(CH3)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(H)3	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	111.0727	1.350	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NHS)(H)	C(CCHN)(CCH)(OH)(H)	C(CCHN)(OH)(H)2	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCH)(H)2	C(CCHH)(CCHO)(CSeN)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCH)(H)2	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCH)(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(CCHH)(H)2	111.3700	0.075	2	111.3700	0.006	2	111.3700	0.006	2	111.3700	0.006	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(COO)(OH)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(COO)(OH)(H)	C(CCCH)(CH3)2(H)	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	112.1526	0.254	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:Cl-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OC)(H)	C(CCHN)(CH3)2(Cl)	112.4995	0.282	2	112.4995	0.080	2	112.3597	0.053	4	112.1526	0.254	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:Cl-1:	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHO)(NHS)(H)	C(CCHN)(COO)(OH)(H)	C(CCHN)(CH3)2(Cl)	112.2200	0.011	2	112.2200	0.000	2	112.3597	0.053	4	112.1526	0.254	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(COO)2(H)	C(CCCH)(F)3	C(CCCH)(CF3)(CCH)(H)	C(CCCH)(COO)2(H)	C(CCCH)(F)3	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	111.4068	5.014	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCH)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	110.4220	0.000	1	110.4220	0.000	1	111.1550	1.075	2	111.4068	5.014	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CCO)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	111.8880	0.000	1	111.8880	0.000	1	111.1550	1.075	2	111.4068	5.014	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C-4:F-1:F-1:H-1:	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	C(CCHN)(F)2(H)	C(CCCH)(CFFH)(NHS)(H)	C(CCHN)(CCH)(COO)(H)	C(CCHN)(F)2(H)	114.2770	0.000	1	114.2770	0.000	1	114.2770	0.000	1	111.4068	5.014	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CCHH)(H)2	112.1345	1.085	2	112.1345	1.178	2	112.1345	1.178	2	112.1345	1.178	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CH3)2(H)	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:1:	4:4:4:4:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CCN)(NCC)(H)	C(CCCH)(CH3)3	C(CCHN)(CC3)(CCH)(H)	C(CCCH)(CCN)(NCC)(H)	C(CCCH)(CH3)3	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCH)(COO)(OH)	C(CCCH)(H)3	110.0150	0.363	2	110.0150	0.132	2	110.5513	0.929	3	110.5513	0.929	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:3:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCO)(CNO)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CCO)(CNO)(OH)	C(CCCH)(H)3	111.6240	0.000	1	111.6240	0.000	1	110.5513	0.929	3	110.5513	0.929	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:4:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:N-3:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HN)(NHO)(H)	C(C[6]C[6]2H)(NC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)(CCN)(H)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(H)3	116.9590	0.000	1	116.9590	0.000	1	116.9590	0.000	1	113.7683	7.831	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(CCHN)(F)3	C(CCCH)(CF3)(NHS)(H)	C(CC[6a]HH)(CC[6a]O)(CCHN)(H)	C(CCHN)(F)3	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	113.7683	7.831	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[3]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]C[3]H)(CH3)(NCC)(H)	C(C[3]C[3,6]2C)(C[6a]C[6a]2)(CCHN)(H)	C(CCHN)(H)3	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	113.7683	7.831	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	C-4:S-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SZnC)(H)	C(CCHS)(SZnC)(CH3)(H)	C(CCHH)(CCHS)(H)2	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	C(C[6a]C[6a]2)(CCHN)(H)2	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)(CNO)(Br)	C(CBrCC)(CH3)(Br)(H)	C(CBrCC)(H)3	C(CBrCH)(CH3)(CNO)(Br)	C(CBrCC)(CH3)(Br)(H)	C(CBrCC)(H)3	114.2740	0.000	1	114.2740	0.000	1	114.2740	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	C(CCHH)(CF3)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	110.0920	0.000	1	110.0920	0.000	1	110.1540	0.008	2	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	C(CCHH)(CF3)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	110.2160	0.000	1	110.2160	0.000	1	110.1540	0.008	2	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	110.4545	0.876	2	110.4545	0.768	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	110.3220	0.000	1	110.3220	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCC)(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCC)(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	110.3280	0.000	1	110.3280	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	108.9980	2.534	2	108.9980	6.423	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	112.0610	0.000	1	112.0610	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.8786	1.124	5	111.8786	1.263	5	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	110.6335	0.566	2	110.6335	0.321	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	110.1030	0.000	1	110.1030	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	110.1397	1.380	3	110.1397	1.905	3	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCH)(H)	C(CC[6a]HN)(CCCH)(H)2	C(CCCH)(H)3	111.5970	0.000	1	111.5970	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCI)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	110.9165	0.576	4	110.9165	0.331	4	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	109.8720	0.024	2	109.8720	0.001	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.3298	0.979	14	111.3298	0.959	14	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	112.2900	2.618	3	112.2900	6.854	3	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	111.4575	2.074	2	111.4575	4.301	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	112.0735	1.969	2	112.0735	3.878	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	110.2530	0.000	1	110.2530	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCO)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	113.1040	0.000	1	113.1040	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	112.9935	0.131	2	112.9935	0.017	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CCS)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	114.3872	1.114	5	114.3872	1.242	5	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CHO)(H)	C(CC[6a]CC)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CHO)(H)	C(CC[6a]CC)(CCCH)(H)2	C(CCCH)(H)3	114.7060	0.000	1	114.7060	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	112.6520	0.392	3	112.6520	0.153	3	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHI)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCHI)(H)2	C(CCCH)(H)3	108.5110	0.000	1	108.5110	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCl3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CCl3)(H)2	C(CCCH)(H)3	108.4810	0.000	1	108.4810	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.1230	0.000	1	110.1230	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CNO)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	110.4770	1.007	2	110.4770	1.014	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	112.7256	0.865	5	112.7256	0.749	5	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	111.6535	0.383	2	111.6535	0.146	2	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.6409	1.969	16	111.6409	3.876	16	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(COO)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	112.1840	0.000	1	112.1840	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)(CSS)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.8100	0.000	1	110.8100	0.000	1	111.5567	2.858	89	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCCH)(H)(O)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CN[5]HH)(CCCH)(H)(O)	C(CCCH)(H)3	111.0255	0.721	2	111.0255	0.519	2	111.0255	0.519	2	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(COO)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)(COO)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HH)(CH3)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)(COO)(H)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	C(CCCH)(H)3	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5,6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,6,6]HH)(CH3)(COO)(H)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C(CCCH)(H)3	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(CCC)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCC)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	108.3405	1.088	4	108.3405	1.183	4	109.5389	5.557	7	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	114.0850	0.000	1	114.0850	0.000	1	109.5389	5.557	7	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	108.3680	0.000	1	108.3680	0.000	1	109.5389	5.557	7	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)(CCO)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)(CCO)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.9570	0.000	1	110.9570	0.000	1	109.5389	5.557	7	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)(COO)(H)	C(PC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)(COO)(H)	C(PC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(O)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(O)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	C(CCHN)(H)3	C(CClCH)(CH3)(NHS)(H)	C(CCCH)(CCHN)(Cl)(H)	C(CCHN)(H)3	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(H)3	C(CCFH)(CH3)(NSS)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(H)3	114.3260	0.000	1	114.3260	0.000	1	114.3260	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.1430	0.820	2	110.1430	0.673	2	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	111.4580	0.000	1	111.4580	0.000	1	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	109.4702	1.308	6	109.4702	1.710	6	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	111.4100	0.000	1	111.4100	0.000	1	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]2C)(CCHN)(H)2	C(CCHN)(H)3	109.4840	0.000	1	109.4840	0.000	1	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCC)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(H)3	111.0230	0.000	1	111.0230	0.000	1	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.6653	0.966	14	109.6653	0.933	14	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	111.1386	2.169	11	111.1386	4.702	11	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	112.7370	0.147	2	112.7370	0.022	2	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NCP)(H)	C(CCHN)(CCHP)(H)2	C(CCHN)(H)3	111.4010	0.000	1	111.4010	0.000	1	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	113.5867	3.875	8	113.5867	15.015	8	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NHN)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	111.0897	1.715	3	111.0897	2.941	3	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NHP)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	110.4820	0.216	2	110.4820	0.047	2	110.9080	5.435	53	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NCH)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(H)3	109.5279	1.937	8	109.5279	3.753	8	109.2044	17.097	12	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NCS)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(H)3	112.2750	0.000	1	112.2750	0.000	1	109.2044	17.097	12	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NHH)(H)	C(CCHN)(NH3)(H)2	C(CCHN)(H)3	107.3181	8.392	3	107.3181	70.427	3	109.2044	17.097	12	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	C(CCHN)(F)3	C(CHHP)(CF3)(NHS)(H)	C(CCHN)(PO3)(H)2	C(CCHN)(F)3	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6]HH)(CH3)(NOO)(H)	C(C[6]C[6]2C)(CCHN)(H)2	C(CCHN)(H)3	111.2325	0.653	2	111.2325	0.426	2	111.2325	0.426	2	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(OFeH)(H)	C(NFeCC)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(OFeH)(H)	C(NFeCC)(CCHO)(H)2	C(CCHO)(Cl)(H)2	112.7355	2.644	2	112.7355	6.990	2	112.4440	2.448	4	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CHHN)(ONiH)(H)	C(NNiCC)(CCHO)(H)2	C(CCHO)(Cl)(H)2	C(CClHH)(CHHN)(ONiH)(H)	C(NNiCC)(CCHO)(H)2	C(CCHO)(Cl)(H)2	112.1525	0.120	2	112.1525	0.014	2	112.4440	2.448	4	111.1077	5.006	180	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	109.8570	0.392	2	109.8570	0.153	2	111.0173	2.364	4	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OS)(H)2	113.0590	0.000	1	113.0590	0.000	1	111.0173	2.364	4	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(COO)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(OH)(H)2	111.2960	0.000	1	111.2960	0.000	1	111.0173	2.364	4	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:F-1:	C-4:O-2:H-1:H-1:	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	C(CCHN)(OC)(H)2	C(CCFF)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(F)2	C(CCHN)(OC)(H)2	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:C-2:H-1:H-1:	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(CC)(H)2	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(CC)(H)2	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:F-1:H-1:	C-4:O-2:H-1:H-1:	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(OH)(H)2	C(CCFH)(CHHO)(NHH)(H)	C(CCHH)(CCHN)(F)(H)	C(CCHN)(OH)(H)2	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NC)(H)2	108.9200	0.598	5	108.9200	0.358	5	109.4509	2.508	8	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NN)(H)2	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NN)(H)2	110.3357	2.487	3	110.3357	6.184	3	109.4509	2.508	8	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OC)(H)2	109.1410	0.328	4	109.1410	0.108	4	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.0165	0.159	2	111.0165	0.025	2	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OC)(H)2	108.7420	0.000	2	108.7420	0.000	2	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	112.4640	0.000	2	112.4640	0.000	2	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.8040	2.885	2	111.8040	8.323	2	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OC)(H)2	113.3290	0.000	1	113.3290	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.3010	0.000	1	111.3010	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OC)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OC)(H)2	114.0680	0.000	1	114.0680	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	111.2698	0.825	10	111.2698	0.681	10	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	113.9500	0.000	1	113.9500	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NHS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	111.9940	0.000	1	111.9940	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NMnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	111.1450	0.873	2	111.1450	0.761	2	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OSn)(H)2	C(CCHH)(CHHO)(NSnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OSn)(H)2	112.3570	0.000	1	112.3570	0.000	1	111.2201	2.446	30	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(OH)(H)2	C(CHHN)(CHHO)(NCH)(H)	C(CCHN)(NCHH)(H)2	C(CCHN)(OH)(H)2	108.8910	0.000	1	108.8910	0.000	1	108.8910	0.000	1	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C(CCHN)(OS)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C(CCHN)(OS)(H)2	110.7010	0.259	2	110.7010	0.067	2	111.1833	0.731	3	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[5]HH)(CHHO)(NCS)(H)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C(CCHN)(OH)(H)2	112.1480	0.000	1	112.1480	0.000	1	111.1833	0.731	3	110.9444	2.875	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:2:2:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	C(CCHN)(OC)2(H)	C(CCHH)(CHOO)(NCC)(H)	C(CC[6]HO)(CCHN)(H)2	C(CCHN)(OC)2(H)	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	109.4040	0.000	1	109.4040	0.000	1	109.6330	0.043	3	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CCC)(H)	C(CC[3,5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	109.8060	0.000	1	109.8060	0.000	1	109.6330	0.043	3	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CCC)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	109.6890	0.000	1	109.6890	0.000	1	109.6330	0.043	3	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(NHS)(H)2	C(CCHH)(CHHN)(CCN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(NHS)(H)2	109.2560	0.000	1	109.2560	0.000	1	110.2765	2.083	2	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(NCH)(H)2	C(CCHH)(CHHN)(CNO)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(NCH)(H)2	111.2970	0.000	1	111.2970	0.000	1	110.2765	2.083	2	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[3]HH)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CC[3]HH)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	C(CCCH)(CCO)(H)2	111.6430	0.000	1	111.6430	0.000	1	111.6430	0.000	1	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CCCH)(CCH)(H)2	C(CC[6,6]HH)(CCHH)(CCC)(H)	C(C[6,6]C[6,6]C[6]2)(CCCH)(H)2	C(CCCH)(CCH)(H)2	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(CCH)(H)2	C(CC[6]HH)(CCHH)(CCC)(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(CCH)(H)2	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:F-1:F-1:	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(COO)(F)2	C(CCFF)(CCHH)(NHS)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(COO)(F)2	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CNO)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CNO)(H)2	112.4570	0.000	1	112.4570	0.000	1	111.9955	1.628	6	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CHO)(H)2	C(CCHH)2(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CHO)(H)2	111.2908	0.358	4	111.2908	0.128	4	111.9955	1.628	6	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	C(CCHN)(CCH)(H)2	C(CCHH)2(NHS)(H)	C(CC[6a]CH)(CCHN)(H)2	C(CCHN)(CCH)(H)2	114.3530	0.000	1	114.3530	0.000	1	111.9955	1.628	6	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCH)(H)2	C(CCHH)(CHHN)(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(NCH)(H)2	109.9483	0.925	3	109.9483	0.856	3	109.9483	0.856	3	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(SRhC)(H)	C(CCHH)(CCHS)(H)2	C(CCHS)(CHH)(H)2	C(CCHH)2(SRhC)(H)	C(CCHH)(CCHS)(H)2	C(CCHS)(CHH)(H)2	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	110.5375	2.077	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:3:3:2:	C-4:C-4:C-3:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-3:C-3:O-2:	C(CSiHH)(CCCO)(CCH)(H)	C(SiC[6a]CC)(CCCH)(H)2	C(CCCH)(CCH)(COO)(OH)	C(CSiHH)(CCCO)(CCH)(H)	C(SiC[6a]CC)(CCCH)(H)2	C(CCCH)(CCH)(COO)(OH)	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(BCN)(H)	C(CBCH)(CCHH)(H)2	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCN)(H)	C(CBCH)(CCHH)(H)2	C(CBCH)(CCHH)(H)2	112.8445	0.360	2	112.8445	0.130	2	113.3883	0.952	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(BCO)(H)	C(CBCH)(CCHH)(H)2	C(CBCH)(CCHH)(H)2	C(CCHH)2(BCO)(H)	C(CBCH)(CCHH)(H)2	C(CBCH)(CCHH)(H)2	114.4760	0.000	1	114.4760	0.000	1	113.3883	0.952	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	111.7590	0.000	1	111.7590	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	112.0065	0.944	2	112.0065	0.891	2	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)(H)2	110.8830	0.000	1	110.8830	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(H)2	C(CCHH)2(CCC)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(H)2	111.9740	0.000	1	111.9740	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCC)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	112.5360	0.000	1	112.5360	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	110.2150	0.000	1	110.2150	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	110.3220	0.000	1	110.3220	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)(H)	C(CCCH)(CC3)(H)2	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CC3)(H)2	C(CCCH)2(H)2	108.8895	0.047	2	108.8895	0.002	2	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.0270	0.256	3	113.0270	0.065	3	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	112.5570	0.000	1	112.5570	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	C(CCHH)2(CNO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	110.3530	0.000	1	110.3530	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	132.0260	0.000	1	132.0260	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	C(CCHH)2(COO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	115.6430	0.000	1	115.6430	0.000	1	112.8906	27.187	17	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(COO)(H)	C(CCCH)(NCHH)(H)2	C(CCCH)(NCHH)(H)2	C(CHHN)2(COO)(H)	C(CCCH)(NCHH)(H)2	C(CCCH)(NCHH)(H)2	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCHH)(CCC)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	113.4290	1.382	3	113.4290	1.909	3	113.4290	1.909	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	113.5134	0.375	5	113.5134	0.141	5	113.5134	0.141	5	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CHH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	115.0680	0.000	1	115.0680	0.000	1	115.0680	0.000	1	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(COO)(H)	C(NCuCH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	C(NCuCH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	116.0860	0.000	1	116.0860	0.000	1	115.1237	0.696	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(COO)(H)	C(NNiCH)(CCCH)(H)2	C(NNiCH)(CCCH)(H)2	C(CHHN)2(COO)(H)	C(NNiCH)(CCCH)(H)2	C(NNiCH)(CCCH)(H)2	114.6425	0.060	2	114.6425	0.004	2	115.1237	0.696	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	C(CCHH)(CCHN)(H)2	C(CClCH)(CCHH)(NCH)(H)	C(CCHN)(CHHN)(Cl)(H)	C(CCHH)(CCHN)(H)2	112.2910	2.087	3	112.2910	4.357	3	112.2910	4.357	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	113.9870	0.000	1	113.9870	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	C(CCHH)2(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	112.1260	0.163	2	112.1260	0.026	2	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	110.2530	2.024	3	110.2530	4.096	3	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CCHO)(H)2	C(CCHH)2(NCH)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CCHO)(H)2	110.3220	0.000	1	110.3220	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCO)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	111.5380	0.000	1	111.5380	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCuC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCuC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	114.2110	1.394	3	114.2110	1.943	3	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCuC)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	C(CCHH)2(NCuC)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	112.4495	0.039	2	112.4495	0.002	2	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NFeC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NFeC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	114.0320	0.000	1	114.0320	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHP)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	115.4490	0.000	1	115.4490	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	112.7500	0.000	1	112.7500	0.000	1	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CHHO)(H)2	C(CCHH)2(NHS)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CHHO)(H)2	110.0945	0.353	2	110.0945	0.125	2	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NZnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	C(CCHH)2(NZnC)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(CH3)(H)2	111.4300	0.617	2	111.4300	0.380	2	112.1835	3.562	20	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CC[5]HH)(CCHH)(NCH)(H)	C(C[5]C[5]N[5]H)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	115.8330	0.000	1	115.8330	0.000	1	115.8330	0.000	1	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	C(NPtHH)(CCHN)(H)2	C(CHHN)2(NCH)(H)	C(NPtHH)(CCHN)(H)2	C(NPtHH)(CCHN)(H)2	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)2(OCu2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	111.9125	1.183	2	111.9125	1.399	2	113.1433	2.685	9	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)2(OFe2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	113.0745	2.511	2	113.0745	6.305	2	113.1433	2.685	9	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)2(OMn2)(H)	C(CCHO)(CHHN)(H)2	C(CCHO)(CHHN)(H)2	113.6632	1.532	5	113.6632	2.346	5	113.1433	2.685	9	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CHHN)(H)2	C(CCHH)(CHHN)(OCu2)(H)	C(NCuCC)(CCHO)(H)2	C(CCHO)(CHHN)(H)2	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OFe2)(H)	C(NFeCC)(CCHO)(H)2	C(NFeCC)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	C(NFeCC)(CCHO)(H)2	C(NFeCC)(CCHO)(H)2	111.3757	2.015	12	111.3757	4.060	12	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OFe2)(H)	C(NFeCH)(CCHO)(H)2	C(NFeCH)(CCHO)(H)2	C(CHHN)2(OFe2)(H)	C(NFeCH)(CCHO)(H)2	C(NFeCH)(CCHO)(H)2	111.4690	0.000	1	111.4690	0.000	1	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OMn2)(H)	C(NMnCC)(CCHO)(H)2	C(NMnCC)(CCHO)(H)2	C(CHHN)2(OMn2)(H)	C(NMnCC)(CCHO)(H)2	C(NMnCC)(CCHO)(H)2	110.2580	1.956	2	110.2580	3.825	2	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(ONi2)(H)	C(NNiCC)(CCHO)(H)2	C(NNiCC)(CCHO)(H)2	C(CHHN)2(ONi2)(H)	C(NNiCC)(CCHO)(H)2	C(NNiCC)(CCHO)(H)2	108.5760	1.382	9	108.5760	1.910	9	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCC)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCC)(CCHO)(H)2	109.1230	0.730	5	109.1230	0.533	5	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCH)(CCHO)(H)2	C(CHHN)2(OZn2)(H)	C(NZnCC)(CCHO)(H)2	C(NZnCH)(CCHO)(H)2	111.5260	0.000	1	111.5260	0.000	1	110.0939	3.967	30	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(SCuC)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(H)2	C(CCHH)2(SCuC)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(H)2	114.2320	0.229	3	114.2320	0.052	3	114.2320	0.052	3	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(SPd2)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPd2)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	114.0025	0.507	2	114.0025	0.257	2	112.7364	3.440	5	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(SPdC)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	C(CCHH)(CHHP)(SPdC)(H)	C(PC[6a]2Pd)(CCHS)(H)2	C(CCHS)(CH3)(H)2	111.8923	2.020	3	111.8923	4.080	3	112.7364	3.440	5	112.0917	9.007	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	S-4:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CCHN)(CHHS)(CCH)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CCCH)(CCHH)(NN)(H)	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	115.3440	0.491	2	115.3440	0.241	2	112.8870	3.366	10	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)2(H)	111.3635	0.998	4	111.3635	0.996	4	112.8870	3.366	10	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(CH3)2(H)	112.5175	0.135	2	112.5175	0.018	2	112.8870	3.366	10	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(H)	112.5090	0.000	1	112.5090	0.000	1	112.8870	3.366	10	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	115.1840	0.000	1	115.1840	0.000	1	112.8870	3.366	10	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	113.2900	1.081	16	113.2900	1.169	16	113.3978	1.130	18	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	114.1850	0.000	1	114.1850	0.000	1	113.3978	1.130	18	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH3)2(H)	114.3360	0.000	1	114.3360	0.000	1	113.3978	1.130	18	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(CH3)2(H)	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(CCHN)(CH3)2(H)	112.8453	0.602	4	112.8453	0.362	4	112.8453	0.362	4	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(NTiS)(H)	C(C[5]C[5]2Ti)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CC[5]HH)(CCCH)(NTiS)(H)	C(C[5]C[5]2Ti)(CCHN)(H)2	C(CCHN)(CH3)2(H)	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHP)(NFeC)(H)	C(PC[6a]2Fe)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CCCH)(CHHP)(NFeC)(H)	C(PC[6a]2Fe)(CCHN)(H)2	C(CCHN)(CH3)2(H)	116.8455	0.586	2	116.8455	0.344	2	116.8455	0.344	2	113.3021	2.427	36	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(CC3)(CCH)(H)	C(C[5]C[5]2Ti)(CCCH)(H)2	C(CCCH)(CH3)3	C(CC[5]HH)(CC3)(CCH)(H)	C(C[5]C[5]2Ti)(CCCH)(H)2	C(CCCH)(CH3)3	113.1790	0.708	4	113.1790	0.501	4	113.1790	0.501	4	112.6194	1.088	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	N[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	C(CCHN)(CH3)3	C(CN[5]HH)(CC3)(NCH)(H)	C(N[5]C[5]2C)(CCHN)(H)2	C(CCHN)(CH3)3	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	112.6194	1.088	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	C(CCHN)(CH3)3	C(CHHP)(CC3)(NCH)(H)	C(PC[6a]2B)(CCHN)(H)2	C(CCHN)(CH3)3	113.5270	0.000	1	113.5270	0.000	1	112.2887	1.488	3	112.6194	1.088	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	C(CCHN)(CH3)3	C(CHHP)(CC3)(NHS)(H)	C(PC[6]BC)(CCHN)(H)2	C(CCHN)(CH3)3	111.6695	0.822	2	111.6695	0.676	2	112.2887	1.488	3	112.6194	1.088	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CC[6]HO)(CCO)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	113.5790	0.000	1	113.5790	0.000	1	113.5790	0.000	1	112.5987	0.484	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CCHO)(NCC)(H)	C(CC[6a]HH)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	112.5987	0.484	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	112.3920	0.000	1	112.3920	0.000	1	112.1660	0.102	2	112.5987	0.484	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	3:4:1:1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CC[6a]HH)(CC[6]HO)(NCH)(H)	C(C[6]C[6]2H)(CCHN)(OH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	111.9400	0.000	1	111.9400	0.000	1	112.1660	0.102	2	112.5987	0.484	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(Br)	C(CBrCC)(CCCH)(OC)(H)	C(CBrCC)(H)3	C(CCHO)(CH3)(COO)(Br)	C(CBrCC)(CCCH)(OC)(H)	C(CBrCC)(H)3	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NC)(H)	C(CCCH)(H)3	113.1510	0.000	1	113.1510	0.000	1	113.1510	0.000	1	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.1160	0.000	1	111.1160	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(H)3	110.1030	0.000	1	110.1030	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCC)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	110.8050	0.000	1	110.8050	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCC)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCC)(H)	C(CC[6a]CH)(CCCH)(OSi)(H)	C(CCCH)(H)3	111.1180	0.000	1	111.1180	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	112.0623	1.006	4	112.0623	1.013	4	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	110.2530	0.000	1	110.2530	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	110.1610	0.260	2	110.1610	0.068	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	111.4232	1.449	5	111.4232	2.098	5	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	110.8850	0.000	1	110.8850	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(H)3	110.2400	0.783	2	110.2400	0.614	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.8960	0.000	1	111.8960	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.0591	1.479	14	111.0591	2.188	14	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	111.3710	0.000	1	111.3710	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	110.6750	0.000	1	110.6750	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	111.3910	0.403	2	111.3910	0.162	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	112.6450	0.000	1	112.6450	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCH)(H)	C(CC[6a]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	109.4930	0.000	1	109.4930	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(H)3	114.6240	0.000	1	114.6240	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	112.7902	0.671	5	112.7902	0.450	5	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	111.7203	2.092	3	111.7203	4.378	3	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(H)3	112.2870	1.525	2	112.2870	2.324	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	110.7740	0.190	2	110.7740	0.036	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	111.4730	0.000	1	111.4730	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.8570	0.000	1	111.8570	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.8471	1.678	10	111.8471	2.816	10	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	112.8710	0.000	1	112.8710	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCO)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCO)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	111.9790	0.187	2	111.9790	0.035	2	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	111.9450	0.000	1	111.9450	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	114.8570	0.000	1	114.8570	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	113.0252	1.663	4	113.0252	2.765	4	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CCS)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	115.1280	0.911	3	115.1280	0.829	3	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CNO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	114.2850	0.000	1	114.2850	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CNO)(H)	C(CN[5]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(CNO)(H)	C(CN[5]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	110.9760	0.000	1	110.9760	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	110.6860	0.000	1	110.6860	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	111.0440	0.000	1	111.0440	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.3523	0.154	3	111.3523	0.024	3	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	113.4210	0.000	1	113.4210	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(COO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)(COO)(H)	C(CC[5]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	110.8480	0.000	1	110.8480	0.000	1	111.7701	2.376	86	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HO)(CF3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CCCH)(F)3	C(CC[5]HO)(CF3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C(CCCH)(F)3	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(CCH)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CCH)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(H)3	109.1104	1.128	8	109.1104	1.272	8	109.4334	2.052	9	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(CNO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)(CNO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C(CCCH)(H)3	112.0180	0.000	1	112.0180	0.000	1	109.4334	2.052	9	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	109.9340	0.000	1	109.9340	0.000	1	110.8773	0.322	6	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CCCH)(H)3	111.2350	0.000	1	111.2350	0.000	1	110.8773	0.322	6	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	111.0238	0.410	4	111.0238	0.168	4	110.8773	0.322	6	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CCHO)(CH3)(NCC)(H)	C(CSeCC)(CCHN)(OH)(H)	C(CCHN)(H)3	116.1270	0.000	1	116.1270	0.000	1	114.4985	5.304	2	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHN)(H)3	C(CCHO)(CH3)(NHS)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCHN)(H)3	112.8700	0.000	1	112.8700	0.000	1	114.4985	5.304	2	111.6097	2.870	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[3]HO)(CHHO)(CCO)(H)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CCCH)(OC)(H)2	C(CC[3]HO)(CHHO)(CCO)(H)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(CCCH)(OC)(H)2	113.2490	0.000	1	113.2490	0.000	1	113.2490	0.000	1	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCHN)(OSi)(H)2	C(CCHO)(CHHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCHN)(OSi)(H)2	111.7500	0.000	1	111.7500	0.000	1	111.3354	4.566	5	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHN)(OH)(H)2	112.2810	0.000	1	112.2810	0.000	1	111.3354	4.566	5	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCC)(H)	C(CCHN)(CH3)(OH)(H)	C(CCHN)(OH)(H)2	109.3780	0.000	1	109.3780	0.000	1	111.3354	4.566	5	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(OH)(H)2	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(OH)(H)2	109.0660	0.000	1	109.0660	0.000	1	111.3354	4.566	5	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(OC)(H)2	C(CCHO)(CHHO)(NCH)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(OC)(H)2	114.2020	0.000	1	114.2020	0.000	1	111.3354	4.566	5	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:O-3:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	C(CCHO)(CHHO)(OFeC)(H)	C(CCHO)(CHHO)(OC)(H)	C(CCHO)(OC)(H)2	118.1595	1.191	2	118.1595	1.420	2	118.1595	1.420	2	113.2806	12.316	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(COO)(H)2	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	112.2250	9.821	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CCHN)(CCP)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CCHN)(CCP)(H)2	114.4410	0.000	1	114.4410	0.000	1	114.4410	0.000	1	112.2250	9.821	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:F-1:	C-4:C-4:S-2:S-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCSS)(COO)(F)	C(CCCF)(CH3)(SC)(S)	C(CCCF)(CCHN)(H)2	C(CCHH)(CCSS)(COO)(F)	C(CCCF)(CH3)(SC)(S)	C(CCCF)(CCHN)(H)2	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CCO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	113.1700	0.000	1	113.1700	0.000	1	114.5023	1.287	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	115.4217	0.401	3	115.4217	0.161	3	114.5023	1.287	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CNO)(H)	C(CCCH)(CHHO)(OC)(H)	C(CCCH)(CH3)(H)2	112.4960	0.000	1	112.4960	0.000	1	114.5023	1.287	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	114.6475	0.720	4	114.6475	0.518	4	114.5023	1.287	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[3]HO)(CCHH)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[3]-4:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C(CC[3]HO)(CHHS)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(SC[6a]OO)(CCCH)(H)2	C(CC[3]HO)(CHHS)(CCC)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	C(SC[6a]OO)(CCCH)(H)2	111.2205	0.325	2	111.2205	0.105	2	111.2205	0.105	2	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HH)(CCCH)(H)2	C(CC[5]HO)(CCHH)(CCC)(H)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C(CC[5]HH)(CCCH)(H)2	115.4160	0.000	1	115.4160	0.000	1	115.4160	0.000	1	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	C(CC[5]HH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CC[5]HH)(CCHN)(CN)(H)	C(CC[5]HH)(CCHN)(H)2	112.0690	0.000	1	112.0690	0.000	1	112.0690	0.000	1	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(CCHN)(H)2	111.4290	0.000	1	111.4290	0.000	1	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCFH)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	112.2710	0.000	1	112.2710	0.000	1	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCC)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHN)(H)2	112.2115	0.794	2	112.2115	0.631	2	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(CCHN)(H)2	111.2790	0.000	1	111.2790	0.000	1	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CC3)(OH)(H)	C(CCCH)(CCHN)(H)2	110.7670	0.000	1	110.7670	0.000	1	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OC)(H)	C(CCHH)(CCHN)(H)2	116.0620	0.000	1	116.0620	0.000	1	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHH)(CCHN)(H)2	112.9325	1.464	2	112.9325	2.145	2	112.4551	2.710	9	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	C(CCHN)(CH3)(H)2	C(CCHH)(CCHS)(NHS)(H)	C(CCHH)(CCHN)(SS)(H)	C(CCHN)(CH3)(H)2	114.8247	0.361	3	114.8247	0.130	3	114.8247	0.130	3	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	C(CC[5]HO)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C(CCHH)(CCHN)(H)2	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	113.6269	3.162	28	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6]HO)(CCCH)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	C(C[6]C[6]2H)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	113.9310	0.000	1	113.9310	0.000	1	113.4887	0.180	3	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCHN)(CH3)2(H)	113.4510	0.000	1	113.4510	0.000	1	113.4887	0.180	3	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHN)(CCHO)(OH)(H)	C(CCHN)(CH3)2(H)	113.0840	0.000	1	113.0840	0.000	1	113.4887	0.180	3	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCHH)(CCHN)(SC)(H)	C(CCHN)(CH3)2(H)	114.0870	0.000	1	114.0870	0.000	1	114.3994	1.268	5	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:S-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCHN)(CH3)(SS)(H)	C(CCHN)(CH3)2(H)	114.4775	1.285	4	114.4775	1.650	4	114.3994	1.268	5	114.0651	0.874	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:2:2:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-2:O-2:	C-4:C-4:C-4:H-1:	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	C(CCHN)(CH3)2(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCHH)(CCHN)(CC)(OH)	C(CCHN)(CH3)2(H)	117.4585	3.361	2	117.4585	11.296	2	117.4585	11.296	2	117.4585	11.296	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CN[5]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CN[5]HH)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	112.3165	2.431	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)(CCCH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CN[5]HH)(CCCH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(N[5]C[5]2)(CCCH)(H)2	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	112.3165	2.431	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CB[5]HH)(CCCH)(CHO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CB[5]HH)(CCCH)(CHO)(H)	C(CCCH)(H)3	110.7260	0.000	1	110.7260	0.000	1	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	112.2090	1.234	4	112.2090	1.522	4	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(H)3	111.2640	0.648	2	111.2640	0.420	2	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(H)3	110.9310	0.000	1	110.9310	0.000	1	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(H)3	112.4930	0.000	1	112.4930	0.000	1	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CNO)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	112.4350	0.276	2	112.4350	0.076	2	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CNS)(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	111.5000	0.000	1	111.5000	0.000	1	111.8237	0.871	12	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(H)3	109.8880	0.000	1	109.8880	0.000	1	114.4200	11.592	4	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(COO)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	113.7630	0.000	1	113.7630	0.000	1	114.4200	11.592	4	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(COO)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)(COO)(H)	C(CC[6a]HO)(CCCH)(NCC)(H)	C(CCCH)(H)3	117.0145	0.585	2	117.0145	0.342	2	114.4200	11.592	4	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(H)3	C(CCHN)(CH3)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(H)3	110.5590	0.000	1	110.5590	0.000	1	111.2720	0.394	3	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(H)3	111.7420	0.000	1	111.7420	0.000	1	111.2720	0.394	3	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	C(CCHN)(CH3)(NCO)(H)	C(CCHN)(CH3)(NCH)(H)	C(CCHN)(H)3	111.5150	0.000	1	111.5150	0.000	1	111.2720	0.394	3	112.2832	3.834	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CC)(H)2	113.5290	2.478	2	113.5290	6.139	2	113.5290	6.139	2	112.5428	4.004	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(OH)(H)2	110.5610	0.000	1	110.5610	0.000	1	111.5565	1.982	2	112.5428	4.004	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(OH)(H)2	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(OH)(H)2	112.5520	0.000	1	112.5520	0.000	1	111.5565	1.982	2	112.5428	4.004	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(COO)(H)2	111.9984	1.685	10	111.9984	2.840	10	111.9984	2.840	10	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CH)(CCHH)(CCO)(H)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(CCCH)(CCO)(H)2	C(CC[5]CH)(CCHH)(CCO)(H)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C(CCCH)(CCO)(H)2	109.5665	2.403	2	109.5665	5.777	2	109.5665	5.777	2	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	110.4160	0.000	1	110.4160	0.000	1	112.2630	8.446	4	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(NCC)(H)	C(CCHN)(COO)(H)2	109.2670	0.000	1	109.2670	0.000	1	112.2630	8.446	4	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(COO)(H)2	113.9020	0.000	1	113.9020	0.000	1	112.2630	8.446	4	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NOO)(H)	C(CCHH)(CCHN)(NCH)(H)	C(CCHN)(COO)(H)2	115.4670	0.000	1	115.4670	0.000	1	112.2630	8.446	4	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(CHHN)(NHN)(H)	C(CCHN)(NHN)(H)2	111.2690	0.000	1	111.2690	0.000	1	111.2690	0.000	1	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CCHN)(CCC)(H)2	C(CC[5]HN)(CCHH)(NOO)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C(CCHN)(CCC)(H)2	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	111.9529	4.887	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OC)(H)	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(CCHO)(CCH)(H)	C(CCCH)(COO)(OC)(H)	108.7860	0.863	2	108.7860	0.744	2	108.7860	0.744	2	110.8452	8.027	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:O-2:H-1:	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCHH)(NCC)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHN)(CCHO)(COO)(H)	C(CCCH)(CCHH)(NCC)(H)	C(CCCH)(CCH)(OH)(H)	112.9045	2.525	2	112.9045	6.376	2	112.9045	6.376	2	110.8452	8.027	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:N-3:H-1:	C(CCCH)(CCHN)(COO)(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(CCHN)(COO)(H)	C(CC[6a]HH)(CCCH)(CCH)(H)	C(CCCH)(CCH)(NCC)(H)	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	114.4050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(CH3)(H)2	112.4130	0.000	1	112.4130	0.000	1	112.4130	0.000	1	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(H)2	114.0820	0.000	1	114.0820	0.000	1	112.5575	4.648	2	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CNO)(H)	C(CCCH)(CCHH)(NOO)(H)	C(CCCH)(CH3)(H)2	111.0330	0.000	1	111.0330	0.000	1	112.5575	4.648	2	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCC)(H)	C(CCHN)(CCHO)(COO)(H)	C(CCHH)(CCHN)(H)2	114.5825	0.278	2	114.5825	0.077	2	114.2064	4.026	5	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHH)(CCHN)(CNO)(H)	C(CCHH)(CCHN)(H)2	116.1960	0.000	1	116.1960	0.000	1	114.2064	4.026	5	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	C(CCHN)(CH3)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHH)(CCHN)(CNO)(H)	C(CCHN)(CH3)(H)2	114.8390	0.000	1	114.8390	0.000	1	114.2064	4.026	5	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NOO)(H)	C(CCHN)(CH3)(CNO)(H)	C(CCHH)(CCHN)(H)2	110.8320	0.000	1	110.8320	0.000	1	114.2064	4.026	5	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	C(CSiHH)(CCCH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(H)	C(SiC[6a]2C)(CCHN)(H)2	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	C(CCHH)(CCHN)(NCC)(H)	C(CCHH)(CCHN)(NCC)(H)	C(CCHN)(CH3)(H)2	112.3200	0.000	1	112.3200	0.000	1	110.9425	3.795	2	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CCHN)(NCH)(H)	C(CCHH)(CCHN)(NOO)(H)	C(CCCH)(CCHN)(H)2	109.5650	0.000	1	109.5650	0.000	1	110.9425	3.795	2	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	S-4:C-4:F-1:F-1:	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(SC[6a]OO)(CCHN)(F)2	C(CCHN)(CFFS)(NHS)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(SC[6a]OO)(CCHN)(F)2	113.8920	0.598	2	113.8920	0.358	2	113.8920	0.358	2	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(SAlC)(H)	C(CCHH)(CCHS)(H)2	113.8725	2.223	4	113.8725	4.942	4	114.7760	5.273	6	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:S-3:H-1:	C-4:C-4:S-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(H)2	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(STiC)(H)	C(CCHH)(CCHS)(H)2	116.5830	1.321	2	116.5830	1.745	2	114.7760	5.273	6	113.6733	4.426	19	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	C(CCHN)(CCHO)(NCC)(H)	C(CCHN)(CHHO)(NCC)(H)	C(CCHN)(CHHO)(OH)(H)	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]CH)(CCCH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CCCH)(CH3)2(H)	C(CC[5]CH)(CCCH)(CCC)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CCCH)(CH3)2(H)	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	113.9363	2.207	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCC)(H)	C(CC[6a]HO)(CCHN)(COO)(H)	C(CCHN)(CH3)2(H)	114.3610	2.403	2	114.3610	5.773	2	114.3895	1.938	4	113.9363	2.207	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	C(CCHN)(CH3)(COO)(H)	C(CCHN)(CH3)2(H)	114.5560	0.000	1	114.5560	0.000	1	114.3895	1.938	4	113.9363	2.207	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NHS)(H)	C(CCHN)(CHHS)(COO)(H)	C(CCHN)(CH3)2(H)	114.2800	0.000	1	114.2800	0.000	1	114.3895	1.938	4	113.9363	2.207	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(CCHN)(NFeC)(H)	C(CCHN)(CH3)2(H)	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(CCHN)(NFeC)(H)	C(CCHN)(CH3)2(H)	114.2615	0.573	2	114.2615	0.329	2	114.2615	0.329	2	113.9363	2.207	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:4:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CH3)3	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CC3)(COO)(H)	C(CCCH)(CH3)3	115.2995	0.546	6	115.2995	0.298	6	115.2995	0.298	6	115.2298	0.237	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CC3)(NHS)(H)	C(CCHN)(CH3)3	115.0903	0.401	3	115.0903	0.161	3	115.0903	0.161	3	115.2298	0.237	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-3:Br-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(COO)(Br)	C(CBrCC)(CH3)(COO)(OH)	C(CBrCC)(H)3	C(CCCO)(CH3)(COO)(Br)	C(CBrCC)(CH3)(COO)(OH)	C(CBrCC)(H)3	115.4550	0.737	2	115.4550	0.543	2	115.4550	0.543	2	113.2762	4.461	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CH3)(COO)(NH)	C(CCCH)(H)3	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CH3)(COO)(NH)	C(CCCH)(H)3	111.1990	0.000	1	111.1990	0.000	1	111.1990	0.000	1	113.2762	4.461	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCO)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)(CCO)(OH)	C(CCCH)(H)3	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	113.2762	4.461	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:Si-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(SiC3)(COO)(OH)	C(CCCH)(H)3	C(CSiCO)(CH3)(CCH)(H)	C(CCCH)(SiC3)(COO)(OH)	C(CCCH)(H)3	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	113.2762	4.461	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)(COO)(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHH)(H)2	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CHHO)(COO)(NHH)	C(CCCH)(H)3	C(CCCN)(CH3)(CCH)(H)	C(CCCH)(CHHO)(COO)(NHH)	C(CCCH)(H)3	111.8660	0.494	2	111.8660	0.244	2	112.7153	2.286	3	112.7153	2.286	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(COO)(NCH)	C(CCCH)(H)3	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)(COO)(NCH)	C(CCCH)(H)3	114.4140	0.000	1	114.4140	0.000	1	112.7153	2.286	3	112.7153	2.286	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(CC[6a]HH)(CCCH)(H)2	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(CC[6a]HH)(CCCH)(H)2	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	111.4823	0.773	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:3:3:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CC[6a]HH)(CCHN)(H)2	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(CC[6a]HH)(CCHN)(H)2	111.9900	0.006	2	111.9900	0.000	2	111.9900	0.000	2	111.4823	0.773	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:F-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNO)(F)	C(CCCF)(CH3)2(H)	C(CCCF)(H)3	C(CCCH)(CH3)(CNO)(F)	C(CCCF)(CH3)2(H)	C(CCCF)(H)3	117.5050	0.000	1	117.5050	0.000	1	117.5050	0.000	1	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(H)3	114.0430	0.865	2	114.0430	0.749	2	112.1973	4.982	29	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	111.9400	2.366	23	111.9400	5.597	23	112.1973	4.982	29	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCN)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCN)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(H)3	113.0980	0.000	1	113.0980	0.000	1	112.1973	4.982	29	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(H)3	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(H)3	114.6160	0.000	1	114.6160	0.000	1	112.1973	4.982	29	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)(COO)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	111.6505	0.193	2	111.6505	0.037	2	112.1973	4.982	29	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)(CCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	113.0585	0.466	2	113.0585	0.217	2	113.0585	0.217	2	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)(COO)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[6]CH)(CH3)(COO)(H)	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(Br)(H)2	C(CBrHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(Br)(H)2	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(Cl)(H)2	C(CClHH)(CCCH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(Cl)(H)2	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(CCHN)(CH3)(H)	C(CCHN)(H)3	114.0430	0.000	1	114.0430	0.000	1	113.3090	0.874	5	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	113.0133	1.156	3	113.0133	1.336	3	113.3090	0.874	5	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCHN)(H)3	113.4620	0.000	1	113.4620	0.000	1	113.3090	0.874	5	112.6496	4.774	40	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(OH)(H)2	115.4940	0.000	1	115.4940	0.000	1	115.4940	0.000	1	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(NC)(H)2	111.9710	0.000	1	111.9710	0.000	1	112.3265	0.253	2	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NC)(H)2	112.6820	0.000	1	112.6820	0.000	1	112.3265	0.253	2	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	112.3690	0.000	1	112.3690	0.000	1	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	113.6239	1.396	9	113.6239	1.950	9	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NCO)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	114.2340	0.000	1	114.2340	0.000	1	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NHH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	111.7520	0.000	1	111.7520	0.000	1	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NHS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	114.7830	0.000	1	114.7830	0.000	1	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OC)(H)2	113.4695	1.394	2	113.4695	1.942	2	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NPdC)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	112.7965	2.073	2	112.7965	4.295	2	113.4285	1.837	17	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:Se-2:H-1:H-1:	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(SeSe)(H)2	C(CSeHH)(CCCH)(NHS)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(SeSe)(H)2	114.4005	0.977	2	114.4005	0.954	2	114.4005	0.954	2	113.5106	1.859	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(CNO)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(CNO)(H)2	113.3840	0.181	2	113.3840	0.033	2	113.3090	0.033	3	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(COO)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(COO)(H)2	113.1590	0.000	1	113.1590	0.000	1	113.3090	0.033	3	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	113.1236	0.828	7	113.1236	0.686	7	113.0303	1.986	12	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCC)(H)2	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCC)(H)2	111.8455	0.890	2	111.8455	0.793	2	113.0303	1.986	12	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCS)(H)2	C(CCCH)(CHHN)(NCS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCS)(H)2	110.6840	0.000	1	110.6840	0.000	1	113.0303	1.986	12	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NHS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	115.0620	0.554	2	115.0620	0.307	2	113.0303	1.986	12	113.0861	1.578	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:3:3:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)2(CHN)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(COO)2(H)	C(CCCH)2(CHN)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(COO)2(H)	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(NH3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(COO)(H)	C(CCCH)(CCHH)(NH3)(H)	C(CCCH)(CCHH)(H)2	113.2065	0.329	2	113.2065	0.108	2	113.2065	0.108	2	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CCHH)(CCHN)(H)	C(CCHH)(CCHN)(H)2	114.6170	0.000	1	114.6170	0.000	1	114.9420	0.211	2	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NHS)(H)	C(CCHH)(CCHN)(CF3)(H)	C(CCHH)(CCHN)(H)2	115.2670	0.000	1	115.2670	0.000	1	114.9420	0.211	2	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(NC3)(H)2	C(CCCH)(CHHN)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(NC3)(H)2	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	113.4113	3.079	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(CCC)(H)	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(CCC)(H)	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	115.4170	0.000	1	115.4170	0.000	1	115.7810	0.265	2	114.7198	1.974	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(CH3)2(H)	C(CCCH)2(OH)(H)	116.1450	0.000	1	116.1450	0.000	1	115.7810	0.265	2	114.7198	1.974	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(CCHN)(OC)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(CCHN)(OC)(H)	115.5860	0.000	1	115.5860	0.000	1	114.0123	1.938	3	114.7198	1.974	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(CCHN)(OH)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHH)(CCHN)(OH)(H)	113.2255	0.402	2	113.2255	0.162	2	114.0123	1.938	3	114.7198	1.974	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCHH)(CCHN)(CH3)(H)	115.1530	0.000	1	115.1530	0.000	1	115.3130	0.982	21	115.3080	0.863	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCHN)(CH3)2(H)	115.4250	1.119	15	115.4250	1.251	15	115.3130	0.982	21	115.3080	0.863	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	114.8017	0.442	4	114.8017	0.196	4	115.3130	0.982	21	115.3080	0.863	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(CH3)2(H)	115.8370	0.000	1	115.8370	0.000	1	115.3130	0.982	21	115.3080	0.863	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:O-3:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(OZn2)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CH3)2(H)	C(CCCH)2(OZn2)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CH3)2(H)	115.2737	0.324	3	115.2737	0.105	3	115.2737	0.105	3	115.3080	0.863	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:N-3:H-1:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	C(CCHN)(CH3)3	C(CCHS)(CC3)(NHS)(H)	C(CCHN)(SCOO)(CH3)(H)	C(CCHN)(CH3)3	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)2(OH)	C(CCCH)(H)3	C(CCCO)(CH3)(CCH)(H)	C(CCCH)(CH3)2(OH)	C(CCCH)(H)3	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	113.6330	3.831	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	C(CCHN)(H)3	C(CCOP)(CH3)(NOO)(H)	C(CCHN)(CH3)(PO3)(OH)	C(CCHN)(H)3	115.0170	0.000	1	115.0170	0.000	1	115.0170	0.000	1	113.6330	3.831	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:2:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-2:	C-4:O-2:H-1:H-1:	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NS)	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NS)	C(CCCH)(OH)(H)2	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	117.4660	0.000	1	117.4660	0.000	1	118.2615	1.266	2	118.2615	1.266	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CCO)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCO)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	119.0570	0.000	1	119.0570	0.000	1	118.2615	1.266	2	118.2615	1.266	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NHS)	C(CCCH)(H)3	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NHS)	C(CCCH)(H)3	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.3870	0.732	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	C(CCHN)(H)3	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)2(COO)	C(CCHN)(H)3	112.7820	0.000	1	112.7820	0.000	1	112.7820	0.000	1	113.3870	0.732	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:2:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(OH)(H)2	C(CCCN)(CHHO)(CCH)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(OH)(H)2	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(COO)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(CH3)(H)2	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	113.2240	3.067	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	C(CCCH)(CCHN)(H)2	C(CCHH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(COO)	C(CCCH)(CCHN)(H)2	112.4925	0.470	2	112.4925	0.221	2	112.5353	0.116	3	113.2240	3.067	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	C(CCHN)(CHHO)(H)2	C(CCHH)(CC3)(NHS)(H)	C(CCHN)(CH3)2(COO)	C(CCHN)(CHHO)(H)2	112.6210	0.000	1	112.6210	0.000	1	112.5353	0.116	3	113.2240	3.067	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:N-3:H-1:	C-4:Si-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	C(CC[6a]HH)(CCHN)(H)2	C(CSiCC)(CCHH)(NHP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	C(CC[6a]HH)(CCHN)(H)2	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	113.2240	3.067	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:3:	4:4:4:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:H-1:	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	C(CCHN)(CH3)2(H)	C(CCCH)(CC3)(NCH)(H)	C(CCHN)(CH3)2(CNO)	C(CCHN)(CH3)2(H)	116.4085	0.641	2	116.4085	0.411	2	116.4085	0.411	2	116.4085	0.411	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NH3)	C(CCCH)(H)3	C(CCCN)(CH3)(CNO)(H)	C(CCCH)(CCHH)2(NH3)	C(CCCH)(H)3	113.9440	0.000	1	113.9440	0.000	1	113.9440	0.000	1	114.9743	0.851	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NCC)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	114.7355	0.624	8	114.7355	0.389	8	115.0212	0.839	22	114.9743	0.851	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NCH)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	115.2773	1.090	12	115.2773	1.188	12	115.0212	0.839	22	114.9743	0.851	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NHP)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	114.6270	0.283	2	114.6270	0.080	2	115.0212	0.839	22	114.9743	0.851	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CHHO)(CH3)2	C(CCCH)(CCC)(H)2	C(CCHH)(CC3)(CCC)(H)	C(CCCH)(CHHO)(CH3)2	C(CCCH)(CCC)(H)2	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.1480	0.200	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:C-3:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CCCH)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CCCH)(CCH)(H)2	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	115.1480	0.200	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	2:4:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	C(CCCN)(H)3	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	2:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	O-2:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CHOO)(CH3)(COO)(OH)	C(OC[6])(CCCO)(OC)(H)	C(CCCO)(H)3	C(CHOO)(CH3)(COO)(OH)	C(OC[6])(CCCO)(OC)(H)	C(CCCO)(H)3	111.3205	0.988	2	111.3205	0.976	2	111.3205	0.976	2	111.3205	0.976	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(COO)(CN)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)(CN)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	108.9480	1.472	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:O-2:	C[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:Br-1:H-1:	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CC[6a]BrH)(CC[5a]HH)(COO)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(C[6a]C[6a]2)(CCCO)(Br)(H)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.9480	1.472	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CCH)(OH)	C(CC[5]C)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)(CCH)(OH)	C(CC[5]C)(CCCO)(H)2	C(CCCO)(F)3	105.9880	0.000	1	105.9880	0.000	1	109.0096	3.055	5	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(COO)(OH)	C(CC[6a]C)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)(COO)(OH)	C(CC[6a]C)(CCCO)(H)2	C(CCCO)(F)3	109.7650	0.519	4	109.7650	0.269	4	109.0096	3.055	5	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[5]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)(COO)(OH)	C(C[5]C[5]O[5])(CCCO)(H)2	C(CCCO)(F)3	C(CC[5]HH)(CF3)(COO)(OH)	C(C[5]C[5]O[5])(CCCO)(H)2	C(CCCO)(F)3	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[6]HH)(CF3)(COO)(OH)	C(C[6]C[6]2)(CCCO)(H)2	C(CCCO)(F)3	C(CC[6]HH)(CF3)(COO)(OH)	C(C[6]C[6]2)(CCCO)(H)2	C(CCCO)(F)3	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(CCO)(OH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6a]HH)(CH3)(CCO)(OH)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CCCO)(H)3	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(CHH)(SS)	C(NC[6]H)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)(CHH)(SS)	C(NC[6]H)(CCCS)(H)2	C(CCCS)(H)3	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	109.4084	1.903	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(COO)(H)2	110.1070	0.462	2	110.1070	0.214	2	110.1070	0.214	2	110.1070	0.214	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(COO)(NHS)(H)	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	112.3770	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:4:2:1:	C-4:C-4:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NS)(H)	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	111.3160	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(COO)(NPd)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CH3)2(H)	C(CC[6a]HH)(CCCH)(COO)(NPd)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CH3)2(H)	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CC[6a]HO)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	111.6160	0.349	2	111.6160	0.122	2	111.6160	0.122	2	111.6160	0.122	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(COS)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[6a]HO)(CH3)(COS)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(H)3	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.5210	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:Br-1:H-1:	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CCCO)(Br)(H)	C(CC[6a]HO)(CBrCH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CC[6a]HH)(CCCO)(Br)(H)	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.7777	0.114	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CCCO)(CH3)(H)2	C(CC[6a]HO)(CCHH)(CCH)(OH)	C(C[6a]C[6a]2)(CCCO)(OH)(H)	C(CCCO)(CH3)(H)2	110.8170	0.468	2	110.8170	0.219	2	110.8170	0.219	2	110.7777	0.114	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(NHS)(H)	C(CCCO)(H)3	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C(CCCO)(CCO)(H)2	C(CC[6a]CH)(CCHH)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(COO)(H)	C(CCCO)(CCO)(H)2	111.1803	1.611	3	111.1803	2.594	3	111.1803	2.594	3	111.1803	2.594	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)(COO)(OH)	C(C[6a]C[6a]2)(CCCO)(CH3)(H)	C(CCCO)(H)3	110.4655	0.675	2	110.4655	0.456	2	110.4655	0.456	2	110.9607	0.964	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(COO)(OC)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]HN)(CH3)(COO)(OC)	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C(CCCO)(H)3	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	110.9607	0.964	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C[5a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CCCO)(COO)(H)2	C(CC[5a]CH)(CCHH)(COO)(OSi)	C(C[5a]C[5a]O[5a])(CCCO)(CCHH)(H)	C(CCCO)(COO)(H)2	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CCCO)(CH3)(H)2	C(CC[6a]CO)(CCHH)(CCH)(OC)	C(C[6a]C[6a]2)(CCCO)(CH3)(OC)	C(CCCO)(CH3)(H)2	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCS)(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCS)(CN)	C(CC3)(H)3	C(CC3)(H)3	109.7570	0.045	2	109.7570	0.002	2	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHO)(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CHO)(CC)	C(CC3)(H)3	C(CC3)(H)3	110.5220	0.000	1	110.5220	0.000	1	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(CH)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CNO)(CH)	C(CC3)(H)3	C(CC3)(H)3	109.2800	0.000	1	109.2800	0.000	1	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CNO)(CN)	C(CC3)(H)3	C(CC3)(H)3	110.2310	0.000	1	110.2310	0.000	1	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(COO)(CC)	C(CC3)(H)3	C(CC3)(H)3	110.4250	0.000	1	110.4250	0.000	1	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(CH)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(COO)(CH)	C(CC3)(H)3	C(CC3)(H)3	109.5145	1.856	2	109.5145	3.445	2	109.8751	0.705	8	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHH)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CHH)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	112.4670	0.000	1	112.4670	0.000	1	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	109.7505	0.554	2	109.7505	0.307	2	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	111.0267	0.588	11	111.0267	0.345	11	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NS)	C(CCCN)(H)3	C(CCCN)(H)3	110.8040	0.000	1	110.8040	0.000	1	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NC)	C(CCCN)(H)3	C(CCCN)(H)3	111.2378	0.634	5	111.2378	0.403	5	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NN)	C(CCCN)(H)3	C(CCCN)(H)3	111.8292	0.404	5	111.8292	0.163	5	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NS)	C(CCCN)(H)3	C(CCCN)(H)3	110.4830	0.000	1	110.4830	0.000	1	111.1494	0.590	26	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:Cl-1:Cl-1:Cl-1:	C-4:F-1:F-1:F-1:	C(CCl3)(CF3)(CFF)(OAl)	C(CCCO)(Cl)3	C(CCCO)(F)3	C(CCl3)(CF3)(CFF)(OAl)	C(CCCO)(Cl)3	C(CCCO)(F)3	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(Cl)(H)2	C(CCCO)(H)3	C(CClHH)(CH3)(CNO)(OH)	C(CCCO)(Cl)(H)2	C(CCCO)(H)3	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CCH)(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(CCH)(OH)	C(CCCO)(F)3	C(CCCO)(F)3	111.0460	0.000	1	111.0460	0.000	1	110.1000	6.566	3	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CFF)(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(CFF)(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	107.1990	0.000	1	107.1990	0.000	1	110.1000	6.566	3	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(COO)(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(COO)(OH)	C(CCCO)(F)3	C(CCCO)(F)3	112.0550	0.000	1	112.0550	0.000	1	110.1000	6.566	3	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)(COO)(OH)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)(CH3)(COO)(OH)	C(CCCO)(F)3	C(CCCO)(H)3	110.7550	0.100	2	110.7550	0.010	2	110.7550	0.010	2	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCC)(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCC)(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	112.1050	0.000	1	112.1050	0.000	1	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCC)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCC)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.0454	0.539	5	110.0454	0.290	5	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCH)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.9710	1.215	2	110.9710	1.476	2	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCH)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.5315	0.647	6	110.5315	0.418	6	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(OCo)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCN)(OCo)	C(CCCO)(H)3	C(CCCO)(H)3	109.6955	0.771	2	109.6955	0.595	2	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCN)(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	110.5563	0.626	3	110.5563	0.392	3	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(OPd)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCN)(OPd)	C(CCCO)(H)3	C(CCCO)(H)3	112.0080	0.000	1	112.0080	0.000	1	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCN)(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	110.9480	0.000	1	110.9480	0.000	1	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCO)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	111.7073	0.496	3	111.7073	0.246	3	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CCO)(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.8583	1.240	10	111.8583	1.537	10	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CHH)(OC)	C(CCCO)(H)3	C(CCCO)(H)3	112.3525	1.192	4	112.3525	1.422	4	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CNO)(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	110.2180	0.355	3	110.2180	0.126	3	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(ON)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(CNO)(ON)	C(CCCO)(H)3	C(CCCO)(H)3	112.4810	0.000	1	112.4810	0.000	1	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(OMg)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(COO)(OMg)	C(CCCO)(H)3	C(CCCO)(H)3	109.4020	0.264	2	109.4020	0.070	2	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(ON)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)2(COO)(ON)	C(CCCO)(H)3	C(CCCO)(H)3	111.4680	0.484	2	111.4680	0.234	2	111.0754	1.397	46	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(CCN)(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	109.8940	0.078	2	109.8940	0.006	2	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(CCN)(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	111.3380	0.000	1	111.3380	0.000	1	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(SMn)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(CCN)(SMn)	C(CCCS)(H)3	C(CCCS)(H)3	109.0587	1.764	3	109.0587	3.113	3	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHN)(SS)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(CHN)(SS)	C(CCCS)(H)3	C(CCCS)(H)3	111.8010	0.255	2	111.8010	0.065	2	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(CNO)(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	111.0360	0.000	1	111.0360	0.000	1	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)2(COO)(SC)	C(CCCS)(H)3	C(CCCS)(H)3	110.8200	0.356	3	110.8200	0.127	3	110.4500	1.652	12	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	C(CCCN)(H)3	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	C(CCCN)(H)3	109.7015	0.059	2	109.7015	0.003	2	109.7015	0.003	2	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	C(CCCN)(H)3	109.9010	0.000	1	109.9010	0.000	1	111.0995	0.710	4	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(H)3	111.4990	0.327	3	111.4990	0.107	3	111.0995	0.710	4	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	C(CCNN)(H)3	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	C(CCNN)(H)3	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	110.9220	1.675	106	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(OH)(H)2	C(CCCO)(H)3	C(CHHO)(CH3)(CCC)(OH)	C(CCCO)(OH)(H)2	C(CCCO)(H)3	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	111.1920	1.176	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	110.5695	0.165	2	110.5695	0.027	2	110.5695	0.027	2	111.1920	1.176	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)(CCH)(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(F)3	109.9140	0.000	1	109.9140	0.000	1	109.9140	0.000	1	108.6267	1.665	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:H-1:	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(CCC)(H)2	C(CCCO)(F)2(H)	C(CCHH)(CFFH)(COO)(OH)	C(CCCO)(CCC)(H)2	C(CCCO)(F)2(H)	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	108.6267	1.665	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(NHS)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)(CCH)(OH)	C(CCCO)(NHS)(H)2	C(CCCO)(H)3	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.6267	1.665	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(OAl)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OAl)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	108.3040	0.000	2	108.3040	0.000	2	108.6750	3.192	41	108.6750	3.192	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(OFe)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OFe)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	108.2910	0.000	1	108.2910	0.000	1	108.6750	3.192	41	108.6750	3.192	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(OH)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OH)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	108.4633	1.805	31	108.4633	3.257	31	108.6750	3.192	41	108.6750	3.192	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(OMo)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OMo)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.7733	1.812	7	109.7733	3.284	7	108.6750	3.192	41	108.6750	3.192	41	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(H)3	C(CCHN)(CH3)(CCC)(OH)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(H)3	109.0800	0.000	2	109.0800	0.000	2	109.0800	0.000	2	109.0800	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:3:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCH)(CNO)(H)	C(CCCO)(COO)(H)2	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCH)(CNO)(H)	C(CCCO)(COO)(H)2	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:3:3:2:	4:3:2:1:	C-4:C-4:C-3:O-2:	C-4:C-3:C-3:O-2:	C-4:C-3:O-2:H-1:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCH)(COO)(OSi)	C(CCCO)(COO)(OH)(H)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCH)(COO)(OSi)	C(CCCO)(COO)(OH)(H)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	111.4040	0.000	1	111.4040	0.000	1	111.4040	0.000	1	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(CH3)(Cl)(H)	C(CCCO)(H)3	C(CClCH)(CH3)(COO)(OH)	C(CCCO)(CH3)(Cl)(H)	C(CCCO)(H)3	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CNO)(OC)	C(CCCH)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)(CNO)(OC)	C(CCCH)(CCCO)(H)2	C(CCCO)(F)3	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	109.4505	0.175	2	109.4505	0.031	2	110.3601	2.039	8	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	109.0105	0.224	2	109.0105	0.050	2	110.3601	2.039	8	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	C(CCCO)(CCHO)(H)2	C(CCCO)(H)3	109.9180	0.000	1	109.9180	0.000	1	110.3601	2.039	8	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	111.4440	0.000	1	111.4440	0.000	1	110.3601	2.039	8	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	112.2985	0.114	2	112.2985	0.013	2	110.3601	2.039	8	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(CNO)(OC)	C(NCoCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)(CNO)(OC)	C(NCoCC)(CCCO)(H)2	C(CCCO)(H)3	111.2680	4.985	4	111.2680	24.848	4	111.2680	24.848	4	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)(CNO)(OH)	C(SC[6a]OO)(CCCO)(H)2	C(CCCO)(H)3	C(CHHS)(CH3)(CNO)(OH)	C(SC[6a]OO)(CCCO)(H)2	C(CCCO)(H)3	108.6972	0.596	5	108.6972	0.356	5	108.6972	0.356	5	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:S-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(SC)	C(CCCS)(CF3)(H)2	C(CCCS)(H)3	C(CCHH)(CH3)(CNO)(SC)	C(CCCS)(CF3)(H)2	C(CCCS)(H)3	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	C(CCCN)(H)3	110.1210	0.000	1	110.1210	0.000	1	110.3805	0.135	2	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	110.6400	0.000	1	110.6400	0.000	1	110.3805	0.135	2	110.2251	4.943	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(COO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(COO)(H)2	108.9210	2.729	2	108.9210	7.450	2	108.9210	7.450	2	108.9210	7.450	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCH)(CN)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CCH)(CN)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	107.8270	0.000	1	107.8270	0.000	1	107.8270	0.000	1	110.7823	15.859	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH3)(H)2	C(CCHH)2(CCC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH3)(H)2	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	110.7823	15.859	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-3:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(C[6]C[6,6a]2H)(CCCN)(H)2	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	110.7823	15.859	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-3:O-2:	C-4:C-4:Br-1:H-1:	C-4:C-4:O-2:H-1:	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(CCHH)(OH)(H)	C(CBrCH)(CCHO)(COO)(OH)	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(CCHH)(OH)(H)	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(CCHH)2(H)	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	112.9320	5.705	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-3:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(COO)(OH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	C(CCCO)(CH3)2(H)	C(CC[5]HH)(CCCH)(COO)(OH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	C(CCCO)(CH3)2(H)	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	112.9320	5.705	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(CH3)(CC)(H)	C(CCCO)(H)3	C(CCCH)(CH3)(CCH)(OC)	C(CCCO)(CH3)(CC)(H)	C(CCCO)(H)3	112.0290	0.000	1	112.0290	0.000	1	112.0290	0.000	1	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)(CCH)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(H)3	110.9760	0.793	2	110.9760	0.629	2	111.1863	0.505	4	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)(CCH)(OH)	C(CC[6]HH)(CCCO)(OH)(H)	C(CCCO)(H)3	110.8010	0.000	1	110.8010	0.000	1	111.1863	0.505	4	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(CH3)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)(CNO)(OH)	C(CCCO)(CH3)(OH)(H)	C(CCCO)(H)3	111.9920	0.000	1	111.9920	0.000	1	111.1863	0.505	4	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)(CCC)(OH)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CCCO)(H)3	C(CC[3]HO)(CH3)(CCC)(OH)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	C(CCCO)(H)3	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)(CCO)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[5]HO)(CH3)(CCO)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	110.4865	0.356	4	110.4865	0.127	4	110.4865	0.127	4	110.8369	0.634	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(COO)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(CH3)(CCH)(H)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(CH3)(CCH)(H)	C(CCCN)(H)3	110.6830	0.000	1	110.6830	0.000	1	110.6830	0.000	1	112.4030	1.379	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:Br-1:	C-4:H-1:H-1:H-1:	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(CH3)(COO)(Br)	C(CCCO)(H)3	C(CBrCC)(CH3)(COO)(OH)	C(CCCO)(CH3)(COO)(Br)	C(CCCO)(H)3	113.1505	0.098	2	113.1505	0.010	2	113.1505	0.010	2	112.4030	1.379	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(CH3)(CCH)(H)	C(CCCO)(H)3	C(CCCH)(CH3)(CCO)(OH)	C(CCCO)(CH3)(CCH)(H)	C(CCCO)(H)3	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.4030	1.379	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)(COO)(H)	C(CC[6a]CH)(CCCO)(H)2	C(CCCH)(CCHH)(COO)(OH)	C(CCCO)(CCHH)(COO)(H)	C(CC[6a]CH)(CCCO)(H)2	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	115.5190	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:2:	3:4:1:1:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCN)(COO)(NC)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CCCN)(COO)(NC)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	114.7500	0.529	2	114.7500	0.280	2	114.7500	0.280	2	114.7500	0.280	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(H)3	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(H)3	110.8175	0.834	2	110.8175	0.695	2	110.8175	0.695	2	110.8175	0.695	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:2:	4:3:2:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:O-2:	C-4:C-3:O-2:H-1:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OC)(H)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(COO)(OC)(H)	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:3:2:	4:4:2:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(OSi)(H)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(COO)(OSi)	C(CCCO)(CCHO)(OSi)(H)	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CCCO)(CH3)(H)	C(CCCO)(H)3	110.0565	0.967	2	110.0565	0.934	2	110.6177	1.412	3	110.9250	1.319	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	C(CCCH)(CH3)(COO)(OH)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	111.7400	0.000	1	111.7400	0.000	1	110.6177	1.412	3	110.9250	1.319	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	111.8470	0.000	1	111.8470	0.000	1	111.8470	0.000	1	110.9250	1.319	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(CH3)(H)	C(CC[5]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(CH3)(H)	C(CC[5]HH)(CCCO)(H)2	113.2320	0.000	1	113.2320	0.000	1	113.2320	0.000	1	113.1355	0.019	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:4:1:1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCN)(CCHH)(H)2	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	113.1355	0.019	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)(COO)(OH)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(F)3	C(CCCO)(CF3)(COO)(OH)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(F)3	114.2880	0.307	2	114.2880	0.094	2	114.2880	0.094	2	114.2880	0.094	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCO)(H)3	C(CCCN)(CH3)(CCC)(OH)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCO)(H)3	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(CC3)(CH3)(CCH)(OH)	C(CCCO)(CH3)3	C(CCCO)(H)3	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CHN)(OCo)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCo)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	119.1745	0.030	2	119.1745	0.001	2	118.9403	0.068	7	118.9403	0.068	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CHN)(OCr)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCr)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	118.7290	0.000	1	118.7290	0.000	1	118.9403	0.068	7	118.9403	0.068	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CHN)(OMn)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OMn)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	118.8660	0.365	2	118.8660	0.133	2	118.9403	0.068	7	118.9403	0.068	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CHN)(ONi)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(ONi)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	118.8860	0.324	2	118.8860	0.105	2	118.9403	0.068	7	118.9403	0.068	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-3:C-3:	Se-2:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C(CSeHH)2(COO)2	C(SePt)(CC3)(H)2	C(SePt)(CC3)(H)2	C(CSeHH)2(COO)2	C(SePt)(CC3)(H)2	C(SePt)(CC3)(H)2	111.9550	0.057	2	111.9550	0.003	2	111.9550	0.003	2	111.9550	0.003	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	2:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHO)(CCH)(COO)	C(OC[5a])(CC3)(H)2	C(CC3)(CCC)(H)2	C(CCHH)(CHHO)(CCH)(COO)	C(OC[5a])(CC3)(H)2	C(CC3)(CCC)(H)2	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:3:4:1:	4:2:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-2:H-1:H-1:	C(CC[6a]2H)(CCHH)(COO)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC3)(CN)(H)2	C(CC[6a]2H)(CCHH)(COO)2	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC3)(CN)(H)2	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(COO)2	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CCHH)(CC3)(H)2	C(CC[6a]HN)(CCHH)(COO)2	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(CCHH)(CC3)(H)2	116.4875	0.100	2	116.4875	0.010	2	116.4875	0.010	2	116.5253	0.009	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:N-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[6a]HN)(CC[5]HH)(COO)2	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(C[5]C[5]2H)(CC3)(H)2	C(CC[6a]HN)(CC[5]HH)(COO)2	C(C[6a]C[6a]2)(NC[6a]O)(CC3)(H)	C(C[5]C[5]2H)(CC3)(H)2	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	116.5253	0.009	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)2(CC[6a]O)(COO)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)2(CC[6a]O)(COO)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(C[5a]C[5a]N[5a])(CC3)(H)2	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6]C[6]2)(CC3)(H)2	C(CC[6a]HH)(CC[6]HH)(CCO)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6]C[6]2)(CC3)(H)2	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CCO)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	112.1722	0.518	4	112.1722	0.269	4	110.9223	4.926	13	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CCO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CCO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	110.3965	1.802	2	110.3965	3.249	2	110.9223	4.926	13	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CHN)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(CHN)(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	106.8850	0.000	1	106.8850	0.000	1	110.9223	4.926	13	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)2(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	110.9372	2.528	6	110.9372	6.390	6	110.9223	4.926	13	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]HH)(COO)2	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]HH)(CN[5a]HH)(COO)2	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(C[6a]C[6a]2)(CC3)(H)2	117.4855	0.487	2	117.4855	0.237	2	117.4855	0.237	2	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(C[6a]C[6a]2)(CCCN)(H)2	109.4960	1.020	3	109.4960	1.041	3	110.0563	1.949	4	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(H)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)2(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(H)2	C(C[6a]C[6a]2)(CCCN)(H)2	111.7370	0.000	1	111.7370	0.000	1	110.0563	1.949	4	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	3:4:1:1:	C-4:C-4:S-3:S-3:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(SRh2)2	C(C[6a]C[6a]2)(CCSS)(H)2	C(C[6a]C[6a]2)(CCSS)(H)2	C(CC[6a]HH)2(SRh2)2	C(C[6a]C[6a]2)(CCSS)(H)2	C(C[6a]C[6a]2)(CCSS)(H)2	111.7267	2.883	3	111.7267	8.314	3	111.7267	8.314	3	111.6077	7.618	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCH)(CCO)	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)(CCH)(CCO)	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	109.5765	2.303	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	109.1123	1.470	3	109.1123	2.161	3	109.1123	2.161	3	109.5765	2.303	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-3:C-3:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CC[5a]HH)(CCHH)(COO)2	C(C[5a]C[5a]2)(CC3)(H)2	C(CC3)(CC)(H)2	C(CC[5a]HH)(CCHH)(COO)2	C(C[5a]C[5a]2)(CC3)(H)2	C(CC3)(CC)(H)2	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CCH)(COO)	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)(H)2	C(CCHH)2(CCH)(COO)	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)(H)2	105.8850	0.000	1	105.8850	0.000	1	105.8850	0.000	1	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]HH)(CCHH)(COO)2	C(C[5a]C[5a]2)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CC[5a]HH)(CCHH)(COO)2	C(C[5a]C[5a]2)(CC3)(H)2	C(CC3)(CCH)(H)2	112.1220	0.000	1	112.1220	0.000	1	112.1220	0.000	1	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(CCO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(CCO)(H)2	115.5930	0.000	1	115.5930	0.000	1	114.2060	3.848	2	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(COO)(H)2	112.8190	0.000	1	112.8190	0.000	1	114.2060	3.848	2	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(CCH)(COO)	C(NC[5a]S)(CC3)(H)2	C(CC3)(CCC)(H)2	C(CCHH)(CHHN)(CCH)(COO)	C(NC[5a]S)(CC3)(H)2	C(CC3)(CCC)(H)2	106.5945	0.144	2	106.5945	0.021	2	106.5945	0.021	2	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCC)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCH)(H)2	110.3260	0.000	2	110.3260	0.000	2	110.5915	0.227	4	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCH)(H)2	C(CC[6a]HH)(CCHH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCH)(H)2	110.8570	0.631	2	110.8570	0.398	2	110.5915	0.227	4	110.1974	9.508	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]HH)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	111.3185	2.350	2	111.3185	5.521	2	111.3185	5.521	2	111.3185	5.521	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:4:2:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-2:H-1:	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NS)(H)	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(CCH)(H)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(CCH)(H)	111.5960	0.000	1	111.5960	0.000	1	111.5960	0.000	1	112.4280	0.562	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NHS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(CCHH)(NHS)(H)	112.8440	0.294	2	112.8440	0.087	2	112.8440	0.087	2	112.4280	0.562	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CCCN)(H)3	C(CC[6a]HO)(CH3)(CCO)(NCH)	C(C[6a]C[6a]2)(CCCN)(OH)(H)	C(CCCN)(H)3	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HN)(CC3)(H)2	C(CC[6a]HO)(CCHH)(COO)2	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]HN)(CC3)(H)2	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]HH)(CC[6a]HN)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(NHS)(H)	C(C[6a]C[6a]2)(CCCN)(H)2	108.9775	0.518	2	108.9775	0.269	2	108.9775	0.269	2	108.9775	0.269	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(COO)(NHH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(F)3	C(CC[6a]CH)(CF3)(COO)(NHH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(F)3	110.8195	0.904	2	110.8195	0.818	2	110.8195	0.818	2	111.3244	5.889	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(H)3	109.4577	0.910	3	109.4577	0.827	3	109.4577	0.827	3	111.3244	5.889	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CCCN)(H)3	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CCCN)(H)3	114.7880	0.000	1	114.7880	0.000	1	114.6295	0.050	2	111.3244	5.889	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CCCN)(H)3	C(CC[6a]HN)(CH3)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	C(CCCN)(H)3	114.4710	0.000	1	114.4710	0.000	1	114.6295	0.050	2	111.3244	5.889	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCH)(H)	C(CCCN)(CCHH)(H)2	108.9020	0.270	2	108.9020	0.073	2	108.9020	0.073	2	108.9020	0.073	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:3:1:	4:4:2:1:	C-4:C-4:C-3:N-3:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C(CCCN)(CH3)(OH)(H)	C(CC[5a]CH)(CCHO)(CCO)(NCH)	C(C[5a]C[5a]O[5a])(CCCN)(CCH)(H)	C(CCCN)(CH3)(OH)(H)	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	109.2110	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C(CC[5a]HH)(CC[6a]CH)(COO)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC[5a]HH)(CC[6a]CH)(COO)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(C[5a]C[5a]N[5a])(CC3)(H)2	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	110.3025	17.874	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CC[6a]CH)(CC[6a]HH)(COO)(NCH)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(C[6a]C[6a]2)(CCCN)(H)2	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	110.3025	17.874	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CCO)(COO)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)(CCO)(COO)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	113.4860	0.000	1	113.4860	0.000	1	113.2455	0.116	2	111.8150	6.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(COO)(COS)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)(COO)(COS)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	113.0050	0.000	1	113.0050	0.000	1	113.2455	0.116	2	111.8150	6.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CCCN)(H)3	C(CC[6a]CH)(CH3)(CHO)(NCN)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CCCN)(H)3	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	111.8150	6.197	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CCCN)(CCH)(H)2	C(CC[6a]CH)(CCHH)(COO)(NOO)	C(C[6a]C[6a]2)(CCCN)(CHHN)(H)	C(CCCN)(CCH)(H)2	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCC)(CHH)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCC)(CHH)	C(CC3)(H)3	C(CC3)(H)3	110.1640	0.000	1	110.1640	0.000	1	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCH)(CCO)	C(CC3)(H)3	C(CC3)(H)3	109.9531	0.468	12	109.9531	0.219	12	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCH)(CNO)	C(CC3)(H)3	C(CC3)(H)3	108.9540	0.000	1	108.9540	0.000	1	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCH)(COO)	C(CC3)(H)3	C(CC3)(H)3	109.8213	0.411	3	109.8213	0.169	3	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCO)(CNO)	C(CC3)(H)3	C(CC3)(H)3	107.8040	0.000	1	107.8040	0.000	1	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCO)(COO)	C(CC3)(H)3	C(CC3)(H)3	109.4580	1.459	2	109.4580	2.130	2	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCO)2	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CCO)2	C(CC3)(H)3	C(CC3)(H)3	110.6260	0.607	3	110.6260	0.369	3	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHH)(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CHH)(COO)	C(CC3)(H)3	C(CC3)(H)3	109.7960	1.606	4	109.7960	2.580	4	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CNO)(COO)	C(CC3)(H)3	C(CC3)(H)3	111.1925	0.421	2	111.1925	0.177	2	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(COS)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CNO)(COS)	C(CC3)(H)3	C(CC3)(H)3	108.8050	0.000	1	108.8050	0.000	1	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)2	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(CNO)2	C(CC3)(H)3	C(CC3)(H)3	108.9098	1.022	16	108.9098	1.044	16	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)2	C(CC3)(H)3	C(CC3)(H)3	C(CH3)2(COO)2	C(CC3)(H)3	C(CC3)(H)3	109.9116	1.108	5	109.9116	1.227	5	109.5903	1.137	51	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCC)(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CCC)(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	112.7100	0.000	1	112.7100	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCH)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CCH)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	109.3960	0.000	1	109.3960	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CCN)(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CCN)(NHO)	C(CCCN)(H)3	C(CCCN)(H)3	109.6770	0.000	1	109.6770	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHH)(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CHH)(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	109.6890	0.000	1	109.6890	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CHH)(NPS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CHH)(NPS)	C(CCCN)(H)3	C(CCCN)(H)3	108.8240	0.000	1	108.8240	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.4325	0.706	286	110.4325	0.499	286	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	110.5915	0.906	2	110.5915	0.820	2	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	110.1175	0.518	12	110.1175	0.268	12	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(CNO)(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(CNO)(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	112.7960	0.000	1	112.7960	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.5196	0.832	62	110.5196	0.692	62	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	109.8060	0.000	1	109.8060	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NCS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NCS)	C(CCCN)(H)3	C(CCCN)(H)3	110.1060	0.000	1	110.1060	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NHN)	C(CCCN)(H)3	C(CCCN)(H)3	111.0460	0.000	1	111.0460	0.000	1	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COO)(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	110.6246	0.488	8	110.6246	0.238	8	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(COS)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(COS)(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.1960	0.371	2	110.1960	0.137	2	110.4408	0.549	381	110.3404	0.691	432	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	110.7340	0.612	2	110.7340	0.375	2	109.9580	1.994	3	111.9336	8.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)(COO)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	108.4060	0.000	1	108.4060	0.000	1	109.9580	1.994	3	111.9336	8.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NOO)2	C(CCNN)(OC)(H)2	C(CCNN)(H)3	C(CHHO)(CH3)(NOO)2	C(CCNN)(OC)(H)2	C(CCNN)(H)3	114.8970	0.257	2	114.8970	0.066	2	114.8970	0.066	2	111.9336	8.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:C-3:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(CCN)(CNO)	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	C(CCHH)2(CCN)(CNO)	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	107.9180	0.000	1	107.9180	0.000	1	110.6480	5.604	3	111.4664	9.229	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-3:C-3:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(COO)2	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	C(CCHH)2(COO)2	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	112.0130	0.168	2	112.0130	0.028	2	110.6480	5.604	3	111.4664	9.229	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-3:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NOO)2	C(CCNN)(OC)(H)2	C(CCNN)(OC)(H)2	C(CHHO)2(NOO)2	C(CCNN)(OC)(H)2	C(CCNN)(OC)(H)2	112.6940	4.548	2	112.6940	20.685	2	112.6940	20.685	2	111.4664	9.229	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCC)(COO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CH3)(CCC)(COO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	109.0110	0.000	1	109.0110	0.000	1	111.3970	4.286	3	110.5478	2.624	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(COO)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	C(CCHH)(CH3)(COO)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	112.5900	0.182	2	112.5900	0.033	2	111.3970	4.286	3	110.5478	2.624	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(CCH)(H)2	C(CCCN)(F)3	C(CCHH)(CF3)(COO)(NHH)	C(CCCN)(CCH)(H)2	C(CCCN)(F)3	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.5478	2.624	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(NOO)(H)2	C(CCCN)(F)3	C(CHHN)(CF3)(CCH)(NHS)	C(CCCN)(NOO)(H)2	C(CCCN)(F)3	109.5110	0.091	2	109.5110	0.008	2	109.5110	0.008	2	110.5478	2.624	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-3:C-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NCoC)(CHO)	C(CCCN)(OCoH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)2(NCoC)(CHO)	C(CCCN)(OCoH)(H)2	C(CCCN)(OH)(H)2	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)2	C(CC3)(CCH)(H)2	C(CC3)(CCH)(H)2	C(CCHH)2(COO)2	C(CC3)(CCH)(H)2	C(CC3)(CCH)(H)2	112.1383	0.666	3	112.1383	0.443	3	112.1383	0.443	3	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:N-3:N-3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(NOO)2	C(CCNN)(NCC)(H)2	C(CCNN)(NCC)(H)2	C(CHHN)2(NOO)2	C(CCNN)(NCC)(H)2	C(CCNN)(NCC)(H)2	115.6510	0.303	2	115.6510	0.092	2	115.6510	0.092	2	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OCo2)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OCo2)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	111.7310	0.000	1	111.7310	0.000	1	109.4168	2.444	6	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OCuH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OCuH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	110.8290	0.000	1	110.8290	0.000	1	109.4168	2.444	6	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OMnH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OMnH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	108.1577	0.235	3	108.1577	0.055	3	109.4168	2.444	6	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-3:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(ONiH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(ONiH)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.4680	0.000	1	109.4680	0.000	1	109.4168	2.444	6	111.2925	7.445	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CSiC)(CH3)(H)	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CSiC)(CH3)(H)	C(CCCN)(H)3	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]C)(CC3)(H)2	C(CCHH)2(COO)2	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]C)(CC3)(H)2	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	113.1450	0.974	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-3:C-3:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(COO)2	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6a]C)(CC3)(H)2	C(CC[6]HH)(CCHH)(COO)2	C(C[6]C[6]O[6]H)(CC3)(H)2	C(CC[6a]C)(CC3)(H)2	113.8430	0.000	1	113.8430	0.000	1	113.8430	0.000	1	113.1450	0.974	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CCO)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)(CCO)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	112.0860	0.000	1	112.0860	0.000	1	109.6995	11.391	2	111.8121	1.880	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(CNO)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)(CNO)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	107.3130	0.000	1	107.3130	0.000	1	109.6995	11.391	2	111.8121	1.880	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:C-3:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(COO)2	C(SiC3)(CC3)(H)2	C(CC3)(H)3	C(CSiHH)(CH3)(COO)2	C(SiC3)(CC3)(H)2	C(CC3)(H)3	112.3710	0.491	4	112.3710	0.241	4	112.3710	0.241	4	111.8121	1.880	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	C(CSiHH)(CH3)(COO)(NCH)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	112.0609	0.485	8	112.0609	0.236	8	112.0609	0.236	8	111.8121	1.880	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CCHH)(CHHS)(CCH)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(SC)(H)2	C(CCHH)(CHHS)(CCH)(COO)	C(CCHH)(CC3)(H)2	C(CC3)(SC)(H)2	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1207	0.540	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-3:N-3:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HH)(CHHO)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CCCN)(OC)(H)2	C(CC[6]HH)(CHHO)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CCCN)(OC)(H)2	113.1135	1.039	2	113.1135	1.079	2	113.1135	1.079	2	113.1207	0.540	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CC3)(CCH)(H)2	112.5413	0.350	4	112.5413	0.123	4	112.5413	0.123	4	112.2390	0.606	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(CCO)(COO)	C(C[5]C[5]O[5]H)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CCO)(COO)	C(C[5]C[5]O[5]H)(CC3)(H)2	C(CC3)(CCH)(H)2	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	112.2390	0.606	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCH)(H)2	C(CCHH)2(CCH)(NHS)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCH)(H)2	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	112.2390	0.606	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:O-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OAlU)(COO)	C(CCCO)(COOU)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OAlU)(COO)	C(CCCO)(COOU)(H)2	C(CCCO)(COO)(H)2	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	112.2390	0.606	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	112.4120	0.000	1	112.4120	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CCO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	112.8200	0.863	2	112.8200	0.744	2	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CNO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	108.8650	0.000	1	108.8650	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(COO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	110.1070	0.000	1	110.1070	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	113.2787	0.886	3	113.2787	0.785	3	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHN)(CC3)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHN)(CC3)(H)2	113.1430	0.000	1	113.1430	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHO)(CC3)(H)2	C(CCHH)2(COO)2	C(CCHH)(CC3)(H)2	C(CCHO)(CC3)(H)2	114.0970	0.000	1	114.0970	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)2	C(CPtCH)(CC3)(H)2	C(CPtCH)(CC3)(H)2	C(CCHH)2(COO)2	C(CPtCH)(CC3)(H)2	C(CPtCH)(CC3)(H)2	112.9200	0.000	1	112.9200	0.000	1	112.4564	2.641	11	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)2(COO)2	C(C[5]C[5]2H)(CC3)(H)2	C(C[5]C[5]2H)(CC3)(H)2	C(CC[5]HH)2(COO)2	C(C[5]C[5]2H)(CC3)(H)2	C(C[5]C[5]2H)(CC3)(H)2	111.2930	3.127	2	111.2930	9.777	2	111.2930	9.777	2	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CNO)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)2(CNO)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	112.4110	0.388	4	112.4110	0.151	4	111.6866	1.553	9	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)(NCH)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)2(COO)(NCH)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	110.7070	0.462	2	110.7070	0.214	2	111.6866	1.553	9	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(COO)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)2(COO)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	113.6020	0.000	1	113.6020	0.000	1	111.6866	1.553	9	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CPtC)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)2(CPtC)(NCH)	C(CCCN)(CH3)(H)2	C(CCCN)(CH3)(H)2	110.2595	0.028	2	110.2595	0.001	2	111.6866	1.553	9	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CCCN)(CH3)(H)2	C(CC[6]HH)(CCHH)(COO)(NCH)	C(C[6]C[6]2H)(CCCN)(H)2	C(CCCN)(CH3)(H)2	110.2520	0.188	2	110.2520	0.035	2	110.2520	0.035	2	111.8870	2.549	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:3:1:	4:2:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(CH3)(CCH)(H)	C(CCCN)(OC)(H)2	C(CCCH)(CHHO)(COO)(NHH)	C(CCCN)(CH3)(CCH)(H)	C(CCCN)(OC)(H)2	109.4980	0.755	2	109.4980	0.570	2	109.4980	0.570	2	109.4980	0.570	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)(COO)(NCH)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCHH)(H)2	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-3:C-3:	C-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(CHN)2	C(CC3)(CH3)(CHN)2	C(CC3)(H)3	C(CC3)(CH3)(CHN)2	C(CC3)(CH3)(CHN)2	C(CC3)(H)3	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	112.1942	1.028	9	112.1942	1.058	9	112.4032	1.970	12	112.4032	1.970	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CCCH)(CH3)(CNO)(NHH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	111.4840	0.000	1	111.4840	0.000	1	112.4032	1.970	12	112.4032	1.970	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	111.7970	0.000	1	111.7970	0.000	1	112.4032	1.970	12	112.4032	1.970	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(CCHH)(CF3)(H)	C(CCCN)(H)3	C(CCCH)(CH3)(COO)(NOO)	C(CCCN)(CCHH)(CF3)(H)	C(CCCN)(H)3	115.8090	0.000	1	115.8090	0.000	1	112.4032	1.970	12	112.4032	1.970	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(CC)(H)2	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCN)(CH3)2(H)	C(CCCN)(CC)(H)2	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:3:	4:4:4:1:	4:4:4:1:	C-4:C-4:S-3:S-3:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(SRh2)2	C(CCSS)(CH3)2(H)	C(CCSS)(CH3)2(H)	C(CCCH)2(SRh2)2	C(CCSS)(CH3)2(H)	C(CCSS)(CH3)2(H)	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	111.2190	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6]HH)2(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6]HH)2(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(C[6]C[6]N[6])(CCCO)(H)2	99.5396	0.000	1	99.5396	0.000	1	99.5396	0.000	1	104.9523	58.595	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:O-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(C[6]C[6]N[6])(CCCO)(H)2	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(C[6]C[6]N[6])(CCCO)(H)2	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	104.9523	58.595	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(H)3	110.3020	0.775	5	110.3020	0.601	5	110.3020	0.601	5	110.3020	0.601	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-3:C-4:	O-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFe)(H)2	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFe)(H)2	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:C-4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFe2)(H)2	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFe2)(H)2	110.7350	0.357	4	110.7350	0.127	4	110.9708	0.373	5	110.9708	0.373	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-3:C-4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFeH)(H)2	C(CHHO)2(NCoC)(CH3)	C(OCoFe)(CCCN)(H)2	C(CCCN)(OFeH)(H)2	111.9140	0.000	1	111.9140	0.000	1	110.9708	0.373	5	110.9708	0.373	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:4:4:4:	C-4:C-4:O-3:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)2(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(CH3)3	C(CC[6]HH)2(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(CH3)3	115.0245	0.306	2	115.0245	0.094	2	112.4527	19.890	3	111.9528	14.260	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:4:4:4:	C-4:C-4:O-3:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(CH3)3	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(CH3)3	107.3090	0.000	1	107.3090	0.000	1	112.4527	19.890	3	111.9528	14.260	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	3:4:1:1:	4:4:4:4:	C-4:C-4:O-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CCCO)(CH3)3	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(C[6a]C[6a]N[6a])(CCCO)(H)2	C(CCCO)(CH3)3	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	111.9528	14.260	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFe)(H)2	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFe)(H)2	C(CCCN)(H)3	110.2820	0.000	1	110.2820	0.000	1	109.6752	3.190	10	109.6752	3.190	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	108.5655	0.052	2	108.5655	0.003	2	109.6752	3.190	10	109.6752	3.190	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NNiC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)2(NNiC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	109.2852	2.107	5	109.2852	4.439	5	109.6752	3.190	10	109.6752	3.190	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	112.1680	0.000	1	112.1680	0.000	1	109.6752	3.190	10	109.6752	3.190	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OSn)(H)2	C(CCCN)(H)3	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OSn)(H)2	C(CCCN)(H)3	110.7450	0.000	1	110.7450	0.000	1	109.6752	3.190	10	109.6752	3.190	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-3:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OSn)(H)2	C(CCCN)(OH)(H)2	C(CHHO)2(NSnC)(CH3)	C(CCCN)(OSn)(H)2	C(CCCN)(OH)(H)2	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFe2)(H)2	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFe2)(H)2	C(CCCN)(H)3	108.4543	0.818	4	108.4543	0.669	4	108.5139	0.592	15	108.5139	0.592	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFeH)(H)2	C(CCCN)(H)3	C(CHHO)2(NCoC)(CH3)	C(CCCN)(OFeH)(H)2	C(CCCN)(H)3	109.3770	0.000	1	109.3770	0.000	1	108.5139	0.592	15	108.5139	0.592	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OCu2)(H)2	C(CCCN)(H)3	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OCu2)(H)2	C(CCCN)(H)3	109.4315	0.247	2	109.4315	0.061	2	108.5139	0.592	15	108.5139	0.592	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONiH)(H)2	C(CCCN)(H)3	108.2064	0.657	8	108.2064	0.431	8	108.5139	0.592	15	108.5139	0.592	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OCu2)(H)2	C(CCCN)(OH)(H)2	C(CHHO)2(NCuC)(CH3)	C(CCCN)(OCu2)(H)2	C(CCCN)(OH)(H)2	112.7925	1.290	2	112.7925	1.665	2	111.7861	1.187	7	111.7861	1.187	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:N-3:C-4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	111.3836	0.810	5	111.3836	0.656	5	111.7861	1.187	7	111.7861	1.187	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-3:C-4:	C-4:O-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONi3)(H)2	C(CCCN)(H)3	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONi3)(H)2	C(CCCN)(H)3	108.2533	0.655	3	108.2533	0.429	3	108.2533	0.429	3	108.2533	0.429	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:3:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-3:C-4:	C-4:O-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONi3)(H)2	C(CCCN)(ONiH)(H)2	C(CHHO)2(NNiC)(CH3)	C(CCCN)(ONi3)(H)2	C(CCCN)(ONiH)(H)2	110.9040	0.371	3	110.9040	0.137	3	110.9040	0.137	3	110.9040	0.137	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	C(OP[6])(CCCH)(H)2	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	C(OP[6])(CCCH)(H)2	113.7950	0.000	1	113.7950	0.000	1	113.7950	0.000	1	112.0870	2.264	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:H-1:	Se-2:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5])(CCCH)(H)2	C(SeC[5])(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5])(CCCH)(H)2	C(SeC[5])(CCCH)(H)2	111.2330	0.390	2	111.2330	0.152	2	111.2330	0.152	2	112.0870	2.264	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NP[6])(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NP[6])(CCCH)(H)2	C(CCCH)(H)3	110.4608	1.203	12	110.4608	1.447	12	110.4608	1.447	12	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(H)3	112.1017	3.033	4	112.1017	9.202	4	110.2122	6.871	248	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(OC[4])(CCCH)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(OC[4])(CCCH)(H)2	C(CCCH)(H)3	110.4315	1.433	6	110.4315	2.054	6	110.2122	6.871	248	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(OC[6])(CCCH)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(OC[6])(CCCH)(H)2	C(CCCH)(H)3	110.2323	1.670	10	110.2323	2.788	10	110.2122	6.871	248	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(H)3	110.1875	2.662	226	110.1875	7.084	226	110.2122	6.871	248	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	C(CCCH)(H)3	C(CHHO)2(CH3)(H)	C(OP[6])(CCCH)(H)2	C(CCCH)(H)3	108.4715	4.419	2	108.4715	19.525	2	110.2122	6.871	248	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NH3)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	C(CHHO)(NCHH)(CH3)(H)	C(OC[6a])(CCHN)(H)2	C(CCHN)(H)3	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	110.2366	6.622	262	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(COO)(H)2	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	109.7815	2.238	4	109.7815	5.011	4	110.5698	3.576	14	110.5698	3.576	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	114.2880	0.000	1	114.2880	0.000	1	110.5698	3.576	14	110.5698	3.576	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(OC[5a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	110.6468	1.659	5	110.6468	2.751	5	110.5698	3.576	14	110.5698	3.576	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(OC[6a])(CCCH)(H)2	C(CCCH)(CH3)(H)2	110.3323	1.139	4	110.3323	1.297	4	110.5698	3.576	14	110.5698	3.576	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	C(CCCH)(H)3	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-2:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NC[5,6])(CCCH)(COO)(H)	C(CCCH)(COO)(H)2	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	2:4:4:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(OC[6])(CCCH)2(H)	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(OC[6])(CCCH)2(H)	112.2160	1.147	2	112.2160	1.315	2	112.2160	1.315	2	112.2160	1.315	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	111.1350	1.354	4	111.1350	1.834	4	111.3642	1.566	10	111.3642	1.566	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCCH)(H)3	110.3370	0.000	1	110.3370	0.000	1	111.3642	1.566	10	111.3642	1.566	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(H)3	112.2140	0.588	2	112.2140	0.346	2	111.3642	1.566	10	111.3642	1.566	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	111.0550	2.145	2	111.0550	4.603	2	111.3642	1.566	10	111.3642	1.566	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHO)(CH3)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	C(CC[5]HO)(CCHO)(CH3)(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(H)3	112.2270	0.000	1	112.2270	0.000	1	111.3642	1.566	10	111.3642	1.566	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)2(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	C(OC[6])(CCCH)2(H)	C(CCCH)(OH)(H)2	112.3560	0.403	4	112.3560	0.162	4	112.3560	0.162	4	112.3560	0.162	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	2:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	O-2:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	C(OC[6a])(CCCH)(CHHN)(H)	C(CCCH)(NCC)(H)2	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	113.7670	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:2:4:1:	4:4:1:1:	S-4:C-4:C-4:H-1:	C-3:Se-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C(CCHS)(CH3)(H)2	C(SC[6a]OO)(CSeCH)(CCHH)(H)	C(CC[6a]O)(SeC[6a])(CCHS)(H)	C(CCHS)(CH3)(H)2	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(H)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(H)3	113.6910	0.000	1	113.6910	0.000	1	113.6910	0.000	1	110.9821	1.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5a]O)(CCCH)(H)	C(CCCH)(H)3	110.4140	0.800	2	110.4140	0.641	2	110.4140	0.641	2	110.9821	1.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C(CCCH)(H)3	110.5613	0.306	4	110.5613	0.094	4	110.5613	0.094	4	110.9821	1.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(H)	C(CCCH)(H)3	111.0375	1.001	2	111.0375	1.001	2	111.0375	1.001	2	110.9821	1.328	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(COO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(COO)(H)2	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	111.7860	1.971	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:3:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C(CCHS)(CCH)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHS)(H)	C(CCHS)(CCH)(H)2	112.5460	0.690	2	112.5460	0.476	2	112.5460	0.476	2	111.7860	1.971	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(CHHO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(CHHO)(H)2	114.2840	0.000	1	114.2840	0.000	1	114.2840	0.000	1	115.7485	2.105	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CCHH)(CCHS)(H)2	C(CC[6a]2H)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)2(CCHS)(H)	C(CCHH)(CCHS)(H)2	116.2367	1.314	3	116.2367	1.727	3	116.2367	1.727	3	115.7485	2.105	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(CH3)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCCH)(H)	C(CCCH)(CH3)3	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	114.1112	0.469	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	113.7260	0.000	1	113.7260	0.000	1	113.9032	0.337	4	114.1112	0.469	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	113.5605	0.040	2	113.5605	0.002	2	113.9032	0.337	4	114.1112	0.469	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(N[5]C[5]N[5])2(CC[5]CH)(H)	C(CC[5]CH)(CH3)3	114.7660	0.000	1	114.7660	0.000	1	113.9032	0.337	4	114.1112	0.469	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:2:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:C-4:H-1:H-1:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CN[5]O)(CCCH)(H)2	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CN[5]O)(CCCH)(H)2	111.1095	0.462	2	111.1095	0.213	2	111.1095	0.213	2	111.1095	0.213	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C(CC[6a]2C)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(CN)	C(CCCH)(H)3	C(CC[6a]2C)(CH3)2(H)	C(C[6a]C[6a]2)2(CCCH)(CN)	C(CCCH)(H)3	111.3540	0.194	2	111.3540	0.038	2	111.3540	0.038	2	111.6958	0.206	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CCCH)(H)3	C(CC[6a]2O)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)2(CCCH)(OH)	C(CCCH)(H)3	112.0375	0.337	2	112.0375	0.114	2	112.0375	0.114	2	111.6958	0.206	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:2:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-3:C-4:C-2:	C-4:N-3:H-1:H-1:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CCCH)(NOO)(H)2	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CCCH)(NOO)(H)2	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	108.1830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:2:	4:4:4:4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-3:C-4:C-2:	C-4:C-4:C-4:C-4:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CCCH)(CH3)3	C(CC[6a]CN)(CHHN)(CC3)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CCCH)(CH3)3	118.9820	0.000	1	118.9820	0.000	1	118.9820	0.000	1	118.9820	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:3:4:3:	4:4:4:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	C-4:C-4:C-4:H-1:	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(C[6a]C[6a]2)2(CCHN)(NRuH)	C(CCHN)(CH3)2(H)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(C[6a]C[6a]2)2(CCHN)(NRuH)	C(CCHN)(CH3)2(H)	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	2:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	Se-2:C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(SeC[5])(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(SeC[5])(CCCH)(H)2	110.6308	0.904	4	110.6308	0.816	4	110.6308	0.816	4	110.6308	0.816	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]O)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]O)(CCCH)(H)2	113.7085	0.408	2	113.7085	0.166	2	113.7085	0.166	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(C[5]C[5]2)(CCCH)(H)2	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(C[5]C[5]2)(CCCH)(H)2	111.0760	0.663	2	111.0760	0.440	2	111.0760	0.440	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(H)2	109.9155	0.859	2	109.9155	0.738	2	109.9155	0.738	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(SeC[5]Cu)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(SeC[5]Cu)(CCCH)(H)2	108.1325	1.409	4	108.1325	1.985	4	108.1325	1.985	4	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CN[5]O)(CCCH)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CN[5]O)(CCCH)(H)2	112.6615	1.141	2	112.6615	1.301	2	112.6615	1.301	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)3(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CN[5a]HH)3(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(N[5a]C[5a]N[5a])(CCCH)(H)2	111.2423	3.517	6	111.2423	12.369	6	111.2423	12.369	6	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5]Cu)(CCCH)(H)2	C(SeC[5]Cu)(CCCH)(H)2	C(CC[6a]HH)(CSeHH)2(H)	C(SeC[5]Cu)(CCCH)(H)2	C(SeC[5]Cu)(CCCH)(H)2	116.0190	2.905	2	116.0190	8.438	2	115.7850	4.383	3	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	C(SeFe2)(CCCH)(H)2	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	C(SeFe2)(CCCH)(H)2	115.3170	0.000	1	115.3170	0.000	1	115.7850	4.383	3	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C(C[5a]C[5a]2)(CC[5]CH)(H)2	C(C[5a]C[5a]2)(CC[5]CH)(H)2	114.9675	0.740	2	114.9675	0.548	2	114.9675	0.548	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(CC[5]CH)(H)2	114.8765	1.033	2	114.8765	1.067	2	114.8765	1.067	2	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(CC[6]CH)(H)2	C(C[6a]C[6a]2)(CC[6]CH)(H)2	114.6628	0.721	4	114.6628	0.520	4	114.6628	0.520	4	112.4276	9.392	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:2:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(C[6a]C[6a]2)(CCCH)(OH)(H)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CN[5]O)(CCCH)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CN[5]O)(CCCH)(NCH)(H)	111.2650	0.120	3	111.2650	0.014	3	111.2650	0.014	3	111.2650	0.014	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(F)	C(NC[6a]2)(CCCF)(H)2	C(CCCF)(H)3	C(CHHN)(CH3)2(F)	C(NC[6a]2)(CCCF)(H)2	C(CCCF)(H)3	111.5393	2.282	4	111.5393	5.207	4	111.5393	5.207	4	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(H)3	111.4310	0.000	1	111.4310	0.000	1	111.1195	0.194	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(H)3	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(H)3	110.8080	0.000	1	110.8080	0.000	1	111.1195	0.194	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCCN)(CCHH)(CF3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(F)3	C(CCCN)(CCHH)(CF3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(F)3	109.3270	0.000	1	109.3270	0.000	1	109.9875	0.802	6	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(F)3	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(F)3	110.2740	0.000	1	110.2740	0.000	1	109.9875	0.802	6	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(F)3	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(F)3	109.7025	0.095	2	109.7025	0.009	2	109.9875	0.802	6	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(F)3	C(CC[6a]CN)(CCHH)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(F)3	110.4595	1.695	2	110.4595	2.873	2	109.9875	0.802	6	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	110.2950	0.000	1	110.2950	0.000	1	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CN[5a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	C(CN[5a]O)(CCCH)(H)2	C(CCCH)(H)3	109.0780	0.000	1	109.0780	0.000	1	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	111.3640	0.000	1	111.3640	0.000	1	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(H)3	110.6525	0.687	2	110.6525	0.471	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[5a]2)(CCCH)(H)2	C(CCCH)(H)3	110.7048	1.816	14	110.7048	3.299	14	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6,6]Pd)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6,6]Pd)(CCCH)(H)2	C(CCCH)(H)3	110.9305	1.606	4	110.9305	2.580	4	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	110.7960	1.137	6	110.7960	1.293	6	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.8090	1.324	14	110.8090	1.754	14	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	112.2335	2.388	4	112.2335	5.702	4	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.2175	0.220	2	110.2175	0.048	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	109.5890	0.018	2	109.5890	0.000	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(H)3	111.3740	0.000	1	111.3740	0.000	1	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	109.7770	0.547	4	109.7770	0.299	4	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(H)3	110.1080	0.000	1	110.1080	0.000	1	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.1235	1.077	2	110.1235	1.160	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(H)3	109.6685	0.469	2	109.6685	0.220	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]2O)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(H)2	C(CCCH)(H)3	109.3560	0.642	2	109.3560	0.412	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]CC)(CCHH)(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(H)3	108.2830	0.365	2	108.2830	0.133	2	110.5497	2.144	65	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	109.4690	0.346	2	109.4690	0.120	2	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5])(CCCH)(H)2	C(CCCH)(H)3	111.0290	0.161	2	111.0290	0.026	2	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	110.7480	0.850	9	110.7480	0.723	9	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5])(CCCH)(H)2	C(CCCH)(H)3	110.1070	1.341	6	110.1070	1.799	6	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5])(CCCH)(H)2	C(CCCH)(H)3	110.1165	2.828	2	110.1165	7.996	2	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	C(CCCH)(H)3	112.0190	0.000	1	112.0190	0.000	1	110.4828	1.414	22	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	111.1658	1.604	18	111.1658	2.573	18	110.9263	2.147	41	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	110.7497	1.428	18	110.7497	2.039	18	110.9263	2.147	41	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(H)2	C(CCCH)(H)3	110.4903	1.256	4	110.4903	1.577	4	110.9263	2.147	41	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CHHO)(CH3)(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5a]HH)(CHHO)(CH3)(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	111.5370	0.000	1	111.5370	0.000	1	110.9263	2.147	41	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	106.9190	0.000	1	106.9190	0.000	1	110.1896	6.413	9	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(H)3	110.0660	1.797	4	110.0660	3.228	4	110.1896	6.413	9	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]N[5,6]C[6])(CCCH)(H)2	C(CCCH)(H)3	111.1308	3.018	4	111.1308	9.107	4	110.1896	6.413	9	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HH)(CClHH)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(Cl)(H)2	C(CC[6a]HH)(CClHH)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(Cl)(H)2	110.7515	3.736	2	110.7515	13.955	2	110.7515	13.955	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.3680	0.774	9	111.3680	0.599	9	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.2392	1.312	4	111.2392	1.723	4	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	112.3050	0.000	1	112.3050	0.000	1	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.9250	0.000	1	111.9250	0.000	1	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.8738	0.776	6	111.8738	0.602	6	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C(CCCH)(H)3	110.6520	0.738	2	110.6520	0.545	2	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	110.5752	1.049	4	110.5752	1.100	4	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(CCCH)(H)3	110.9130	0.335	2	110.9130	0.112	2	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.4338	2.080	131	111.4338	4.327	131	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CCCH)(H)3	110.9472	1.439	16	110.9472	2.072	16	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	C(CCCH)(H)3	113.9260	6.058	2	113.9260	36.705	2	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	113.8485	0.965	2	113.8485	0.932	2	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.5295	0.293	2	111.5295	0.086	2	111.4273	3.774	182	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	109.6040	0.000	1	109.6040	0.000	1	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(H)3	110.9270	0.673	3	110.9270	0.453	3	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NC[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NC[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.6085	0.941	4	110.6085	0.885	4	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NC[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NC[6]H)(CCCH)(H)2	C(CCCH)(H)3	111.1200	1.213	4	111.1200	1.471	4	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(H)3	111.0159	1.391	8	111.0159	1.934	8	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(H)3	110.5870	1.766	6	110.5870	3.120	6	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	C(CCCH)(H)3	110.2680	1.017	4	110.2680	1.035	4	110.7340	1.514	30	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	109.8977	1.776	6	109.8977	3.154	6	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]2)(CCCH)(H)2	C(CCCH)(H)3	110.7775	2.638	2	110.7775	6.960	2	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(H)3	110.0283	2.458	12	110.0283	6.043	12	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	110.2209	2.849	26	110.2209	8.115	26	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]N[5])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]C[5]N[5])(CCCH)(H)2	C(CCCH)(H)3	110.3056	2.244	20	110.3056	5.033	20	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[4,5]C[5])(CCCH)(H)2	C(CCCH)(H)3	110.8277	2.643	16	110.8277	6.984	16	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]Ge[5]C[5])(CCCH)(H)2	C(CCCH)(H)3	110.7453	3.025	236	110.7453	9.150	236	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(N[5]P[3x5]C[5])(CCCH)(H)2	C(CCCH)(H)3	111.1120	3.677	6	111.1120	13.523	6	110.6449	8.450	324	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	112.1910	0.000	1	112.1910	0.000	1	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	109.6523	1.580	4	109.6523	2.496	4	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6]C[5a])(CCCH)(H)2	C(CCCH)(H)3	110.2170	3.913	2	110.2170	15.313	2	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]2)(CCCH)(H)2	C(CCCH)(H)3	110.0935	3.058	2	110.0935	9.353	2	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a,6a]C[5a])(CCCH)(H)2	C(CCCH)(H)3	110.1431	1.410	14	110.1431	1.987	14	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(H)3	112.0845	3.335	2	112.0845	11.125	2	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]C[5a]N[5a])(CCCH)(H)2	C(CCCH)(H)3	110.3185	1.890	8	110.3185	3.573	8	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(N[5a]Ge[5a]C[5a])(CCCH)(H)2	C(CCCH)(H)3	111.9383	4.124	28	111.9383	17.010	28	111.0560	10.096	61	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CCCH)(H)3	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CCCH)(H)3	109.7707	1.221	4	109.7707	1.490	4	110.5633	3.924	15	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[6]HH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	110.7085	2.516	8	110.7085	6.332	8	110.5633	3.924	15	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CCCH)(H)3	111.2327	1.027	3	111.2327	1.054	3	110.5633	3.924	15	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PC[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PC[5]C)(CCCH)(H)2	C(CCCH)(H)3	111.3498	1.410	8	111.3498	1.988	8	111.3498	1.988	8	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(H)	C(SC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	C(CHHS)(CH3)2(H)	C(SC[6a]O)(CCCH)(H)2	C(CCCH)(H)3	110.7595	1.843	4	110.7595	3.395	4	110.7595	3.395	4	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	C(CCCH)(H)3	C(CSeHH)2(CH3)(H)	C(SeFe2)(CCCH)(H)2	C(CCCH)(H)3	108.0000	0.000	1	108.0000	0.000	1	108.0000	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C(CCHN)(H)3	111.5410	0.000	1	111.5410	0.000	1	113.4946	0.398	13	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	113.6574	0.241	12	113.6574	0.058	12	113.4946	0.398	13	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CC[6a]HH)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(H)3	113.4804	0.795	8	113.4804	0.631	8	113.4804	0.631	8	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CCHN)(H)3	C(CN[5]HH)(NCCH)(CH3)(H)	C(N[5]C[5,6a]C[5])(CCHN)(H)2	C(CCHN)(H)3	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CCHN)(H)3	C(CN[6]HH)(NCCH)(CH3)(H)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CCHN)(H)3	112.3737	0.870	12	112.3737	0.758	12	112.3737	0.758	12	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(CCHP)(H)3	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(CCHP)(H)3	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:F-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	C(CCHS)(H)3	C(CC[6a]FH)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(F)(H)	C(CCHS)(H)3	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5,6]CH)(H)2	C(CC[5,6]CH)(H)3	111.2380	0.000	1	111.2380	0.000	1	111.2380	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	109.1070	0.000	2	109.1070	0.000	2	109.1070	0.000	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5a]HH)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6]CH)(H)2	C(CC[6]CH)(H)3	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCC)(CHHN)(CH3)(H)	C(NC[5]Co)(CCHN)(H)2	C(CCHN)(H)3	C(NCoCC)(CHHN)(CH3)(H)	C(NC[5]Co)(CCHN)(H)2	C(CCHN)(H)3	110.3900	0.000	1	110.3900	0.000	1	112.4230	8.266	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CHHN)(CH3)(H)	C(NC[5]Ni)(CCHN)(H)2	C(CCHN)(H)3	C(NNiHH)(CHHN)(CH3)(H)	C(NC[5]Ni)(CCHN)(H)2	C(CCHN)(H)3	114.4560	0.000	1	114.4560	0.000	1	112.4230	8.266	2	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	C(CCHS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CN[5a]O)(CCHS)(H)2	C(CCHS)(H)3	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	C(CSiCH)(H)3	C(SiC[6a]OO)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CSiCH)(H)2	C(CSiCH)(H)3	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.9582	5.872	821	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(OC)(H)2	108.4910	0.000	1	108.4910	0.000	1	108.8010	0.192	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]C)(CCCH)(H)2	C(CCCH)(OC)(H)2	109.1110	0.000	1	109.1110	0.000	1	108.8010	0.192	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(CH3)(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CC[5a]HH)(CHHO)(CH3)(H)	C(C[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:F-1:F-1:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CC)(F)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CC)(F)2	109.3590	0.037	2	109.3590	0.001	2	109.3590	0.001	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NS)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NS)(H)2	110.0845	1.809	2	110.0845	3.274	2	110.0845	3.274	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OC)(H)2	109.6850	0.000	1	109.6850	0.000	1	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	110.1145	1.515	2	110.1145	2.296	2	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OS)(H)2	111.1030	0.000	1	111.1030	0.000	1	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	110.8460	0.000	1	110.8460	0.000	1	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OC)(H)2	111.6980	0.000	1	111.6980	0.000	1	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OS)(H)2	112.2870	0.093	2	112.2870	0.009	2	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	109.8680	0.000	1	109.8680	0.000	1	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(OH)(H)2	111.2195	1.135	2	111.2195	1.288	2	110.9493	1.207	11	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CCHN)(OC)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CCHN)(OC)(H)2	113.8705	0.328	4	113.8705	0.108	4	114.1907	0.314	6	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CCHN)(OP)(H)2	C(CC[5]HH)(CHHO)(NH3)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	C(CCHN)(OP)(H)2	114.8310	0.137	2	114.8310	0.019	2	114.1907	0.314	6	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHN)(OP)(H)2	C(CC[5a]HH)(CHHO)(NH3)(H)	C(C[5a]C[5a]N[5a])(CCHN)(H)2	C(CCHN)(OP)(H)2	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	110.6350	0.238	2	110.6350	0.056	2	111.4977	2.261	3	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	113.2230	0.000	1	113.2230	0.000	1	111.4977	2.261	3	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OIr)(H)2	C(CC[6a]HH)(NIr2C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OIr)(H)2	122.1090	0.000	1	122.1090	0.000	1	116.9695	52.829	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	C(CC[6a]HH)(NRhCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(OH)(H)2	111.8300	0.000	1	111.8300	0.000	1	116.9695	52.829	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C(N[5]C[5]N[5])(CC[5]CH)(H)2	C(CC[5]CH)(OH)(H)2	111.9075	0.342	2	111.9075	0.117	2	111.9075	0.117	2	111.8282	7.194	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:C-3:Br-1:H-1:	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(CCO)(Br)(H)	C(CBrCH)2(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(CCO)(Br)(H)	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:Br-1:H-1:	C-4:C-3:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(CCO)(H)2	C(CBrCH)(CCHH)(CH3)(H)	C(CC[5]O)(CCCH)(Br)(H)	C(CCCH)(CCO)(H)2	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]O)(CCCH)(H)2	C(CCCH)(CCO)(H)2	112.9405	1.172	4	112.9405	1.373	4	112.5394	1.834	5	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CCHH)2(CH3)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(COO)(H)2	110.9350	0.000	1	110.9350	0.000	1	112.5394	1.834	5	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CF3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	110.4375	0.161	2	110.4375	0.026	2	109.7483	1.438	3	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(NOO)(H)2	108.3700	0.000	1	108.3700	0.000	1	109.7483	1.438	3	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(H)2	C(CCCH)(COO)(H)2	110.5350	0.000	1	110.5350	0.000	1	110.2160	0.204	2	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(H)2	109.8970	0.000	1	109.8970	0.000	1	110.2160	0.204	2	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NCH)(H)2	108.5340	0.000	1	108.5340	0.000	1	109.8077	3.537	7	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NTcC)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(NTcC)(H)2	110.1995	1.535	2	110.1995	2.357	2	109.8077	3.537	7	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CCCH)(NCuC)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a]N[6a])(CCCH)(H)2	C(CCCH)(NCuC)(H)2	109.9303	2.372	4	109.9303	5.626	4	109.8077	3.537	7	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]C)(CCCH)(H)2	C(CCCH)(COO)(H)2	109.7530	0.000	1	109.7530	0.000	1	109.7530	0.000	1	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(COO)(H)2	110.4313	0.971	3	110.4313	0.943	3	110.4313	0.943	3	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CHH)(H)2	119.5220	0.000	1	119.5220	0.000	1	115.7350	28.683	2	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CNO)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CNO)(H)2	111.9480	0.000	1	111.9480	0.000	1	115.7350	28.683	2	110.9352	5.820	25	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCI)(OH)(H)	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCI)(OH)(H)	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	112.0940	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(NCH)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(NCH)(H)	109.2860	0.000	1	109.2860	0.000	1	110.2350	1.801	2	110.2350	1.801	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:N-3:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(COO)(NHS)(H)	111.1840	0.000	1	111.1840	0.000	1	110.2350	1.801	2	110.2350	1.801	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(CHHS)(H)2	C(CCHH)2(CH3)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(CHHS)(H)2	113.9900	0.000	1	113.9900	0.000	1	113.9900	0.000	1	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)2(CCHH)(H)	C(C[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	110.5472	1.095	4	110.5472	1.199	4	110.5472	1.199	4	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	110.3560	0.000	1	110.3560	0.000	1	113.9192	21.136	5	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	117.6100	5.640	2	117.6100	31.808	2	113.9192	21.136	5	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(CCCH)(H)2	C(CCCH)(CH3)(H)2	112.0100	2.346	2	112.0100	5.505	2	113.9192	21.136	5	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	111.4650	0.000	1	111.4650	0.000	1	110.7523	0.322	7	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	110.7380	0.156	2	110.7380	0.024	2	110.7523	0.322	7	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	C(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHO)(H)2	111.1700	0.000	1	111.1700	0.000	1	110.7523	0.322	7	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)2(H)2	110.7520	0.000	1	110.7520	0.000	1	110.7523	0.322	7	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(H)2	110.2015	0.786	2	110.2015	0.617	2	110.7523	0.322	7	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(NCoCH)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(C[6a]C[6a,6a]2)(CCCH)(H)2	C(NCoCH)(CCCH)(H)2	109.0245	4.086	2	109.0245	16.698	2	109.0245	16.698	2	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(NC[6a]H)(CCCH)(H)2	C(CCCH)(CHHO)(H)2	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	C(CCCH)(NCCH)(H)2	C(CHHN)2(CH3)(H)	C(NC[6a]2)(CCCH)(H)2	C(CCCH)(NCCH)(H)2	107.8697	1.021	4	107.8697	1.042	4	107.8697	1.042	4	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	110.4472	2.390	6	110.4472	5.712	6	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	108.3040	0.000	1	108.3040	0.000	1	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,5a]C[5])(CCCH)(H)2	C(CCCH)(CH3)(H)2	112.1040	0.000	1	112.1040	0.000	1	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	110.1520	0.000	1	110.1520	0.000	1	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(H)2	C(CCCH)(CH3)(H)2	116.9560	0.000	1	116.9560	0.000	1	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	113.4450	0.000	1	113.4450	0.000	1	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(N[5]C[5]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	108.9406	1.150	5	108.9406	1.322	5	110.5217	6.926	16	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	109.8083	1.228	4	109.8083	1.508	4	110.4438	5.318	6	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	108.7810	0.000	1	108.7810	0.000	1	110.4438	5.318	6	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(N[5a]C[5a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	114.6490	0.000	1	114.6490	0.000	1	110.4438	5.318	6	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CCCH)(NCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CCCH)(NCCH)(H)2	107.8993	1.691	3	107.8993	2.860	3	107.8993	2.860	3	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)2(H)	C(N[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	C(N[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(H)2	109.7000	2.826	2	109.7000	7.984	2	109.7000	7.984	2	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	115.4510	0.000	1	115.4510	0.000	1	114.5162	0.404	4	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a]HH)(CCHH)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	114.2047	0.156	3	114.2047	0.024	3	114.5162	0.404	4	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:P-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	C(CCHN)(CCHP)(H)2	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	C(CCHN)(CCHP)(H)2	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(NZnHH)(CCHN)(H)2	C(CC[6a]HH)(NZnHH)(CHHN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(NZnHH)(CCHN)(H)2	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[4]-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C(CC[4]CH)(CH3)(H)2	C(C[4]C[4]N[4]H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[4]CH)(H)2	C(CC[4]CH)(CH3)(H)2	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	P-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Ir)(CCHP)(H)2	C(PC[6a]2Ir)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Ir)(CCHP)(H)2	112.0610	0.000	1	112.0610	0.000	1	111.6515	0.335	2	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	P-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Rh)(CCHP)(H)2	C(PC[6a]2Rh)(CC[6a]HH)(CHHP)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	C(PC[6a]2Rh)(CCHP)(H)2	111.2420	0.000	1	111.2420	0.000	1	111.6515	0.335	2	110.9843	8.268	60	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(NHS)(H)	C(CC[6a]HH)(CCHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)(NHS)(H)	112.1100	0.000	1	112.1100	0.000	1	112.1100	0.000	1	112.1100	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:3:2:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:N-3:C-2:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CCHH)(NCH)(CC)	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)(CH3)2(H)	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	112.1320	0.050	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(CH3)2(H)	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1320	0.050	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NH3)(H)	C(N[6]C[6]2)(CCHN)(H)2	C(CCHN)(CH3)2(H)	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	112.1320	0.050	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[5]-3:C-4:H-1:H-1:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(C[5]N[5]O[5])(CCCH)(H)2	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	113.0763	4.498	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	3:4:1:1:	C-4:C-4:S-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	C(CC[6a]HH)(CC[6a]HO)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(C[6a]C[6a]2)(CCHS)(H)2	113.5573	2.315	3	113.5573	5.359	3	113.5573	5.359	3	113.0763	4.498	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	3:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	112.7780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	3:4:4:2:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:C-4:O-2:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CBrCC)(H)3	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CBrCC)(H)3	114.1505	0.657	2	114.1505	0.432	2	114.1505	0.432	2	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCCH)(H)3	109.6740	0.318	2	109.6740	0.101	2	109.6740	0.101	2	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CCCH)(H)3	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C(CCCH)(H)3	110.0095	0.537	2	110.0095	0.288	2	110.0095	0.288	2	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	109.7330	0.000	1	109.7330	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	109.7840	0.000	1	109.7840	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	108.1015	0.122	2	108.1015	0.015	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	111.8450	0.000	1	111.8450	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	111.0970	0.000	1	111.0970	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	110.1180	0.000	1	110.1180	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	112.4520	0.000	1	112.4520	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	111.6870	0.000	1	111.6870	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CC[5]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	110.9100	0.000	1	110.9100	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)(H)	C(CCCH)(H)3	111.9780	3.200	2	111.9780	10.242	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	111.7950	1.689	2	111.7950	2.851	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OC)(H)	C(CCCH)(H)3	111.0790	2.554	2	111.0790	6.523	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	110.1310	1.879	2	110.1310	3.532	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	C(CCCH)(H)3	110.2425	0.941	6	110.2425	0.885	6	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	110.6180	0.000	1	110.6180	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CN[5a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	113.8120	0.000	1	113.8120	0.000	1	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(H)3	111.9690	0.515	2	111.9690	0.265	2	110.8435	2.564	28	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CCCH)(H)3	109.9780	0.822	2	109.9780	0.675	2	109.9780	0.675	2	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	110.9545	0.837	2	110.9545	0.700	2	111.9933	3.587	3	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	114.0710	0.000	1	114.0710	0.000	1	111.9933	3.587	3	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6]HO)(NCHH)(CH3)(H)	C(C[6]C[6]2)(CCHN)(OH)(H)	C(CCHN)(H)3	113.5385	0.995	2	113.5385	0.990	2	113.5385	0.990	2	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	112.7736	0.880	40	112.7736	0.774	40	113.2173	1.329	82	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	113.6302	1.270	39	113.6302	1.613	39	113.2173	1.329	82	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NMoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OMo)(H)	C(CCHN)(H)3	114.2720	0.000	1	114.2720	0.000	1	113.2173	1.329	82	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NPdHH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(H)3	113.5110	0.625	2	113.5110	0.391	2	113.2173	1.329	82	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CCHS)(H)3	C(CC[6a]HO)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(OH)(H)	C(CCHS)(H)3	113.6590	0.689	4	113.6590	0.475	4	113.6590	0.475	4	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:1:1:1:	N[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(OH)(H)	C(CN[5]CH)(H)3	111.5160	0.000	1	111.5160	0.000	1	111.5160	0.000	1	112.5016	2.964	129	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	113.6681	2.492	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	C(CCHN)(OH)(H)2	113.3702	0.854	6	113.3702	0.730	6	113.3702	0.730	6	113.6681	2.492	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:2:1:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CCHP)(OC)(H)2	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CCHP)(OC)(H)2	115.0370	1.903	3	115.0370	3.623	3	115.0370	3.623	3	113.6681	2.492	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:C-4:Br-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CBrCC)(NCS)(H)2	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(C[6a]C[6a]2)(CBrCC)(OC)(H)	C(CBrCC)(NCS)(H)2	110.3810	0.658	2	110.3810	0.432	2	110.3810	0.432	2	110.7505	0.597	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCH)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCH)(H)2	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	110.7505	0.597	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HO)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(NCH)(H)2	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.7505	0.597	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[5,6]O)(CCCH)(OC)(H)	C(CCCH)(CCHO)(H)2	113.2940	0.013	2	113.2940	0.000	2	113.2940	0.000	2	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HO)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(OH)(H)	C(CCCH)(CH3)(H)2	110.6640	2.367	2	110.6640	5.605	2	110.6640	5.605	2	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHO)(H)2	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHO)(H)2	109.8570	0.000	1	109.8570	0.000	1	111.6990	2.796	6	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	114.0340	0.000	1	114.0340	0.000	1	111.6990	2.796	6	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CCHH)(H)2	112.1390	0.000	1	112.1390	0.000	1	111.6990	2.796	6	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CHHO)(H)2	C(CC[6a]HO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CHHO)(H)2	110.7030	0.000	1	110.7030	0.000	1	111.6990	2.796	6	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(H)2	111.7305	1.986	2	111.7305	3.945	2	111.6990	2.796	6	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:Si-4:H-1:H-1:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(SiC3)(H)2	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:S-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	C(CC[6a]HS)(SC[6a]OO)(CCHH)(H)	C(C[6a]C[6a]2)(CCHS)(SC)(H)	C(CCHH)(CCHS)(H)2	117.9985	0.759	2	117.9985	0.576	2	117.9985	0.576	2	112.7211	7.780	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)2(OSi)(H)	111.6900	0.000	1	111.6900	0.000	1	112.6843	0.672	4	112.6843	0.672	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	113.4200	0.000	1	113.4200	0.000	1	112.6843	0.672	4	112.6843	0.672	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[6a]HO)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CH3)(OH)(H)	112.3370	0.000	1	112.3370	0.000	1	112.6843	0.672	4	112.6843	0.672	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CCCH)(CCHH)(OH)(H)	113.2900	0.000	1	113.2900	0.000	1	112.6843	0.672	4	112.6843	0.672	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:H-1:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	C(CC[6a]HO)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	113.1530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	112.1155	0.285	2	112.1155	0.081	2	112.3630	0.224	3	112.3630	0.224	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	112.8580	0.000	1	112.8580	0.000	1	112.3630	0.224	3	112.3630	0.224	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	117.9605	0.520	2	117.9605	0.270	2	117.9605	0.270	2	117.9605	0.270	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:1:	4:4:4:4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CCHP)(CH3)3	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	C(CCHP)(CH3)3	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CCCH)(H)3	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CCCH)(H)3	111.8735	0.542	2	111.8735	0.294	2	111.8735	0.294	2	111.8735	0.294	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:2:2:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:O-2:	C-4:C-2:H-1:H-1:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CCCH)(CC)(H)2	C(CC[6a]OO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(OSi)2	C(CCCH)(CC)(H)2	110.5430	0.387	2	110.5430	0.150	2	110.5430	0.150	2	110.5430	0.150	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	2:4:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-3:H-1:	O-2:C-4:H-1:H-1:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(OC[6a])(CCCH)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(OC[6a])(CCCH)(H)2	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	C(CC[5a]O)(CCCH)(H)2	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	C(CC[5a]O)(CCCH)(H)2	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.3132	2.083	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.9170	0.000	1	110.9170	0.000	1	110.9170	0.000	1	110.3132	2.083	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.0545	2.396	2	110.0545	5.743	2	110.0545	5.743	2	110.3132	2.083	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(C[6a]C[6a]2)(CCCH)(OC)(H)	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	111.3222	1.471	11	111.3222	2.163	11	111.3044	1.970	12	111.5111	2.676	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	111.1090	0.000	1	111.1090	0.000	1	111.3044	1.970	12	111.5111	2.676	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	112.7515	3.088	2	112.7515	9.535	2	112.7515	9.535	2	111.5111	2.676	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	B[5]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]HN)(CH3)2(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CB[5]HN)(CH3)2(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	110.8120	3.014	2	110.8120	9.082	2	110.8120	9.082	2	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(F)3	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(F)3	110.9660	0.000	1	110.9660	0.000	1	111.6410	0.911	2	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(F)3	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(F)3	112.3160	0.000	1	112.3160	0.000	1	111.6410	0.911	2	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	109.4540	0.000	1	109.4540	0.000	1	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CF3)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	113.9620	0.000	1	113.9620	0.000	1	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCC)(H)	C(CCCH)(H)3	110.0793	1.123	4	110.0793	1.260	4	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.2264	1.828	14	111.2264	3.341	14	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NHO)(H)	C(CCCH)(H)3	C(CC[6]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NHO)(H)	C(CCCH)(H)3	112.5617	0.753	3	112.5617	0.566	3	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(H)3	112.4673	0.249	3	112.4673	0.062	3	111.3842	2.947	26	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(H)3	110.5440	1.548	6	110.5440	2.397	6	110.9183	4.207	12	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(H)3	111.2027	1.961	4	111.2027	3.846	4	110.9183	4.207	12	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(CCCH)(NHP)(H)	C(CCCH)(H)3	111.4725	4.580	2	111.4725	20.976	2	110.9183	4.207	12	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	110.8427	1.534	4	110.8427	2.354	4	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	110.7640	0.000	1	110.7640	0.000	1	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	111.4197	1.066	11	111.4197	1.136	11	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[5a]C[5a]S[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	110.9290	0.000	1	110.9290	0.000	1	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.8905	0.596	6	111.8905	0.355	6	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	111.5950	2.933	2	111.5950	8.603	2	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	C(C[5a]N[5a]S[5a])(CCCH)(NCH)(H)	C(CCCH)(H)3	111.2616	1.782	16	111.2616	3.177	16	111.3512	2.001	41	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(H)3	110.3930	0.379	4	110.3930	0.144	4	110.8778	0.331	23	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CC[6a]HO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(H)3	111.3520	0.000	1	111.3520	0.000	1	110.8778	0.331	23	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	C(CCCH)(H)3	111.0769	0.544	14	111.0769	0.295	14	110.8778	0.331	23	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(H)3	110.5473	0.535	4	110.5473	0.286	4	110.8778	0.331	23	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.3787	1.489	13	111.3787	2.216	13	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCO)(H)	C(CCCH)(H)3	110.3110	1.353	4	110.3110	1.830	4	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCS)(H)	C(CCCH)(H)3	110.1344	1.490	8	110.1344	2.221	8	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(H)3	110.5413	1.235	4	110.5413	1.525	4	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.9120	0.000	1	111.9120	0.000	1	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HN)2(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.0755	2.429	4	111.0755	5.899	4	110.8418	2.440	34	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	C(CCCH)(H)3	111.0505	1.138	4	111.0505	1.294	4	111.4429	1.274	10	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(H)3	110.3325	0.602	2	110.3325	0.362	2	111.4429	1.274	10	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NC[5]H)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NC[5]H)(CCCH)(COO)(H)	C(CCCH)(H)3	112.3905	0.428	4	112.3905	0.183	4	111.4429	1.274	10	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CCCH)(H)3	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CCCH)(H)3	109.3980	0.000	1	109.3980	0.000	1	110.8362	1.819	19	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	C(CCCH)(H)3	110.2575	1.097	2	110.2575	1.203	2	110.8362	1.819	19	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(H)3	111.0062	0.656	4	111.0062	0.430	4	110.8362	1.819	19	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	C(CCCH)(H)3	110.9484	1.000	8	110.9484	1.001	8	110.8362	1.819	19	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]S[5])(CCCH)(COO)(H)	C(CCCH)(H)3	111.0905	2.584	4	111.0905	6.676	4	110.8362	1.819	19	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CN[5a]CH)(CH3)(H)	C(N[5a]C[5a]2)(CCCH)(CCC)(H)	C(CCCH)(H)3	111.2700	1.918	2	111.2700	3.677	2	110.7155	1.288	6	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)2(H)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C(CCCH)(H)3	C(CN[5a]CH)(CH3)2(H)	C(N[5a]B[5a]C[5a])(CCCH)(COO)(H)	C(CCCH)(H)3	110.4382	0.783	4	110.4382	0.613	4	110.7155	1.288	6	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CCCH)(H)3	110.5522	0.997	14	110.5522	0.994	14	110.5522	0.994	14	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CCHP)(H)3	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	C(CCHP)(H)3	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NCoCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(OCoH)(H)	C(CCHN)(H)3	111.8000	0.751	5	111.8000	0.565	5	111.8056	0.415	11	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C(CCHN)(H)3	C(CC[6a]HO)(NNiCC)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(ONiH)(H)	C(CCHN)(H)3	111.8103	0.615	6	111.8103	0.378	6	111.8056	0.415	11	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:1:1:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CCHS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CCHS)(H)3	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	111.1110	2.028	202	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(OH)(H)2	111.4170	0.223	2	111.4170	0.050	2	111.4170	0.050	2	112.0450	1.208	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(OH)(H)2	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	112.0450	1.208	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(CCCH)(COO)(H)2	C(CC[5a]CH)(CCHH)(CHHO)(H)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	C(CCCH)(COO)(H)2	113.5490	0.000	1	113.5490	0.000	1	113.5490	0.000	1	111.0804	7.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CCH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CCH)(H)2	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	111.0804	7.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(NCH)(H)2	C(CC[6a]HN)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(NCH)(H)	C(CCCH)(NCH)(H)2	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	111.0804	7.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C-4:C-4:Si-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CSiCH)(COO)(H)2	C(CN[5]CH)(CCHH)(SiC3)(H)	C(N[5]C[5]2)(CSiCH)(CCH)(H)	C(CSiCH)(COO)(H)2	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	111.0804	7.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	C(CC[6]CH)(COO)(H)2	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	111.0804	7.181	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	112.6890	0.000	1	112.6890	0.000	1	111.5175	2.745	2	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CN[5]O)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	110.3460	0.000	1	110.3460	0.000	1	111.5175	2.745	2	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CH3)(H)	C(C[5]N[5]O[5])(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	111.6952	2.469	6	111.6952	6.098	6	111.6952	6.098	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	109.7403	0.394	4	109.7403	0.155	4	110.3393	1.037	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(H)2	111.5375	0.641	2	111.5375	0.411	2	110.3393	1.037	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C(CBHN)(CCHH)2(H)	C(NC[5]C)(CCCH)(BCN)(H)	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	C(NC[5]C)(CCCH)(BCN)(H)	C(CCCH)(CCHH)(H)2	113.9260	2.662	4	113.9260	7.087	4	113.6765	4.711	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C(CBHN)(CCHH)2(H)	C(NC[6a]H)(CCCH)(BCO)(H)	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	C(NC[6a]H)(CCCH)(BCO)(H)	C(CCCH)(CCHH)(H)2	113.1775	1.244	2	113.1775	1.547	2	113.6765	4.711	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NC[4]H)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	111.6308	0.902	4	111.6308	0.813	4	111.8828	0.646	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]H)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	112.3870	0.160	2	112.3870	0.026	2	111.8828	0.646	6	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CCCH)(COS)(H)	C(CCCH)(CH3)(H)2	111.5810	0.000	1	111.5810	0.000	1	111.1213	0.290	3	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(CH3)(H)2	110.8915	0.513	2	110.8915	0.263	2	111.1213	0.290	3	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	C-4:Si-4:H-1:H-1:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(SiC3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(CNO)(H)	C(CCCH)(SiC3)(H)2	110.5600	0.658	2	110.5600	0.432	2	110.5600	0.432	2	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CClHH)(CCHN)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	C(CClHH)(CCHN)(H)2	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	111.7148	3.289	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:O-2:H-1:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(CH3)(OH)(H)	C(CC[5a]HN)(CCHO)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)(CH3)(OH)(H)	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C-4:C-4:N-3:H-1:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)2(NCH)(H)	C(CC[5a]HN)(CCHN)(CH3)(H)	C(C[5a]C[5a]O[5a])(CCCH)(NCH)(H)	C(CCCH)2(NCH)(H)	112.6547	2.017	4	112.6547	4.067	4	112.6547	4.067	4	112.6547	4.067	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	C(CC[5a]O)(CCCH)(CCH)(H)	C(CCCH)(CH3)2(H)	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	112.6720	4.003	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6a]C[6a]2)(CCCH)(NHS)(H)	C(CCCH)(CH3)2(H)	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	112.6720	4.003	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:1:	4:4:4:1:	C-4:S-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CCHS)(CH3)2(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(C[6a]C[6a]2)(CCHS)(NHS)(H)	C(CCHS)(CH3)2(H)	114.9810	0.000	1	114.9810	0.000	1	114.9810	0.000	1	112.6720	4.003	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:2:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:N-2:	C-3:C-4:H-1:H-1:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CC[6a]O)(CCCH)(H)2	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CC[6a]O)(CCCH)(H)2	111.3725	0.325	2	111.3725	0.105	2	111.3725	0.105	2	111.3725	0.105	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:N-2:	C-4:F-1:F-1:F-1:	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CCCH)(F)3	C(CC[6a]CN)(CCHH)(CF3)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CCCH)(F)3	114.7620	1.168	2	114.7620	1.365	2	114.7620	1.365	2	114.7620	1.365	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:2:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CCCH)(COO)(H)2	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CCCH)(CCHH)(H)2	C(CC[6a]CC)(CCHH)2(H)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CCCH)(CCHH)(H)2	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:3:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-3:	C-3:C-4:H-1:H-1:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C(CC[5a]O)(CCCH)(H)2	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C(CC[5a]O)(CCCH)(H)2	113.1575	0.749	2	113.1575	0.561	2	113.1575	0.561	2	113.1575	0.561	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C(CCCH)(H)3	C(CC[6a]CC)(CCHH)(CH3)(H)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C(CCCH)(H)3	115.0730	1.984	2	115.0730	3.937	2	115.0730	3.937	2	115.0730	3.937	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	109.9350	0.000	1	109.9350	0.000	1	109.9350	0.000	1	111.9328	3.895	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)2(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	112.4323	1.879	4	112.4323	3.531	4	112.4323	3.531	4	111.9328	3.895	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	C(CC[6a]CH)2(CC[6a]HH)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(CCCH)(COO)(H)	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)2(F)	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCF)(F)3	C(CCCH)(CF3)2(F)	C(CN[5]O)(CCCF)(CH3)(H)	C(CCCF)(F)3	112.8842	3.766	4	112.8842	14.183	4	112.8842	14.183	4	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CC[6]N)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(CC[6]N)(CCCH)(CH3)(H)	C(CCCH)(H)3	110.6600	0.000	2	110.6600	0.000	2	112.0315	2.456	6	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(H)3	112.6635	0.834	2	112.6635	0.695	2	112.0315	2.456	6	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CN[5]O)(CCCH)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CN[5]O)(CCCH)2(H)	C(CCCH)(H)3	112.7710	2.435	2	112.7710	5.931	2	112.0315	2.456	6	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CCCH)(H)3	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CCCH)(H)3	113.6810	0.000	1	113.6810	0.000	1	113.6810	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	C(C[5]N[5]O[5])(NRuHH)(CCCH)(H)	C(CCCH)(H)3	110.8930	0.764	2	110.8930	0.583	2	110.8930	0.583	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CCCH)(H)3	C(CC[5a]CH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(CCCH)2(H)	C(CCCH)(H)3	111.9100	1.593	4	111.9100	2.537	4	111.9100	2.537	4	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.1743	1.160	4	111.1743	1.347	4	111.1743	1.347	4	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(H)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CCCH)(H)3	C(CC[6]HN)(CH3)2(H)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C(CCCH)(H)3	111.8320	1.911	2	111.8320	3.650	2	111.8320	3.650	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	110.7440	0.000	1	110.7440	0.000	1	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	114.3630	0.000	1	114.3630	0.000	1	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.5550	2.108	4	111.5550	4.444	4	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHN)(H)	C(CCCH)(H)3	112.1935	1.901	2	112.1935	3.615	2	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]2O)(CCCH)(H)	C(CCCH)(H)3	112.4465	4.434	2	112.4465	19.663	2	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(C[6a]C[6a]2)(CN[5]CH)(CCCH)(H)	C(CCCH)(H)3	112.1650	3.825	2	112.1650	14.634	2	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.8218	0.484	11	111.8218	0.234	11	111.9555	2.835	23	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CCCH)(H)3	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CCCH)(H)3	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(CCCH)(H)3	110.9203	1.924	6	110.9203	3.703	6	111.2834	4.909	8	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	C(CCCH)(H)3	112.3725	3.562	2	112.3725	12.686	2	111.2834	4.909	8	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CCCH)(H)3	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CCCH)(H)3	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NC[5]Pd)(CCCH)(CHHO)(H)	C(CCCH)(H)3	110.7140	0.708	6	110.7140	0.501	6	111.0327	0.779	12	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NC[6a]C)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.3045	0.845	2	111.3045	0.714	2	111.0327	0.779	12	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NC[6a]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	111.3748	1.173	4	111.3748	1.377	4	111.0327	0.779	12	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CCCH)(H)3	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CCCH)(H)3	111.6930	1.765	2	111.6930	3.115	2	111.3693	4.779	7	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]C[5]2)(CC[5]HH)(CCCH)(H)	C(CCCH)(H)3	112.3425	4.375	2	112.3425	19.139	2	111.3693	4.779	7	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	C(CCCH)(H)3	110.7485	1.310	2	110.7485	1.717	2	111.3693	4.779	7	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(H)3	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(H)3	110.0170	0.000	1	110.0170	0.000	1	111.3693	4.779	7	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CCCH)(H)3	C(CN[5a]CH)(CH3)2(H)	C(N[5a]C[5a]2)(CCCH)(CHHO)(H)	C(CCCH)(H)3	111.6105	0.029	2	111.6105	0.001	2	111.6105	0.001	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CCCH)(H)3	110.3965	0.446	2	110.3965	0.199	2	110.3965	0.199	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	S[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CS[6]CH)(CH3)2(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CCCH)(H)3	C(CS[6]CH)(CH3)2(H)	C(S[6]C[6,6a]2)(CS[6]CH)(CCCH)(H)	C(CCCH)(H)3	111.8145	3.317	2	111.8145	11.003	2	111.8145	11.003	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHN)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	C(C[6a]C[6a]2)(CCHH)(CCHN)(H)	C(CCHN)(H)3	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CCHN)(H)3	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(CCHN)(CHHN)(H)	C(CCHN)(H)3	116.6440	0.000	1	116.6440	0.000	1	116.6440	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	C(CCHP)(H)3	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[5]CH)(H)3	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6]CH)(H)3	116.7650	0.450	2	116.7650	0.202	2	116.7650	0.202	2	111.8348	4.066	88	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(OH)(H)2	112.4635	1.122	2	112.4635	1.259	2	112.4635	1.259	2	113.5018	4.489	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(OH)(H)2	C(CN[5]CH)(CHHO)(CH3)(H)	C(N[5]C[5]2)(CCCH)2(H)	C(CCCH)(OH)(H)2	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	113.5018	4.489	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6]CH)(OS)(H)2	C(C[6]C[6,6a]2H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(CC[6]CH)(OS)(H)2	113.3870	0.000	1	113.3870	0.000	1	112.7610	0.784	2	113.5018	4.489	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CC[6a]CH)(CHHO)(H)	C(C[6a]C[6a]2)(CC[6]CH)(CHHN)(H)	C(CC[6]CH)(OC)(H)2	112.1350	0.000	1	112.1350	0.000	1	112.7610	0.784	2	113.5018	4.489	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CNO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CNO)(H)2	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	111.2145	1.769	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C(C[6a]C[6a]2)(CC[5]CH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	111.2145	1.769	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(CNO)(H)	C(CC[6a]CH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(CNO)(H)	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CH3)(H)	C(CN[5]O)(CCCH)(CCHO)(H)	C(CCCH)(CH3)(H)2	110.5340	2.140	2	110.5340	4.578	2	110.5340	4.578	2	111.1195	1.415	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:C-4:C-4:Br-1:	C-4:C-4:H-1:H-1:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CCCH)(CCHH)(H)2	C(CC[5]BrC)(CCHH)(CH3)(H)	C(C[5]C[5]2)(CBrHH)(CCCH)(Br)	C(CCCH)(CCHH)(H)2	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	111.1195	1.415	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(NCCH)(H)2	C(CC[6a]CH)(CHHN)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(NCCH)(H)2	110.8227	0.473	11	110.8227	0.224	11	110.8227	0.224	11	111.1195	1.415	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CCCH)(CCHH)(H)2	C(CC[6a]CO)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CHHO)(O)	C(CCCH)(CCHH)(H)2	113.4870	0.000	1	113.4870	0.000	1	113.4870	0.000	1	111.1195	1.415	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CCHH)(CH3)(H)	C(N[5]C[5]2)(CC[6a]HH)(CCCH)(H)	C(CCCH)(CH3)(H)2	110.7380	0.518	2	110.7380	0.268	2	110.7380	0.268	2	111.1195	1.415	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:Si-4:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(SiC3)(H)	C(CCCH)(CHHO)(OH)(H)	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CCCH)(CH3)(CCN)(H)	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	C(CCCH)(CH3)(CCN)(H)	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(C)	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(C)	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC3)(H)3	111.2635	3.737	2	111.2635	13.966	2	111.2635	13.966	2	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CC[5]O)(CCCH)(CCHH)(OH)	C(CCCH)(H)3	113.2910	0.305	2	113.2910	0.093	2	112.4553	2.142	3	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]O)(CCCH)(CH3)(OH)	C(CCCH)(H)3	110.7840	0.000	1	110.7840	0.000	1	112.4553	2.142	3	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C(CC[5a]CN)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CCCH)(H)3	C(CC[5a]CN)(CH3)2(H)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CCCH)(H)3	111.5525	3.719	2	111.5525	13.829	2	111.5525	13.829	2	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CCCH)2(OH)	C(CCCH)(H)3	113.5866	1.321	8	113.5866	1.746	8	113.5185	1.476	10	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(CCCH)(H)3	C(CC[6a]CO)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(OH)	C(CCCH)(H)3	113.2460	0.939	2	113.2460	0.882	2	113.5185	1.476	10	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5a]HH)(CC[3]CH)(OH)	C(CC[3]CH)(H)3	111.5445	0.299	2	111.5445	0.089	2	111.5445	0.089	2	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:1:1:1:	N[5]-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(CN[5]CH)(H)3	C(N[5]C[5]2H)(CC[6a]CO)(CH3)(H)	C(C[6a]C[6a]2)(CN[5]CH)(CH3)(OH)	C(CN[5]CH)(H)3	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	112.6115	3.402	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CCCH)(NCC)(H)2	110.7175	0.073	2	110.7175	0.005	2	110.7175	0.005	2	111.0267	0.289	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCH)(COO)(H)2	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCH)(COO)(H)2	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.0267	0.289	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CCCH)(CHHO)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(C[6a]C[6a]2)(CC[6a]2H)(CCCH)(OH)	C(CCCH)(CHHO)(H)2	115.5145	0.122	2	115.5145	0.015	2	115.5145	0.015	2	114.0877	6.115	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)2(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCH)(CH3)(H)2	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	114.0877	6.115	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	3:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CCCH)(H)3	C(CC[6a]CC)(CH3)2(H)	C(C[6a]C[6a]2)(CC[6a]CN)(CCCH)(CH3)	C(CCCH)(H)3	113.8405	2.874	2	113.8405	8.262	2	113.8405	8.262	2	113.8405	8.262	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	C(CCHH)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	111.8750	0.294	2	111.8750	0.087	2	112.5900	1.577	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	C(CCHO)(CH3)2(Br)	C(CBrCC)(H)3	C(CBrCC)(H)3	114.0200	0.000	1	114.0200	0.000	1	112.5900	1.577	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(C)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(C)	C(CC3)(H)3	C(CC3)(H)3	104.2660	0.000	1	104.2660	0.000	1	104.2660	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(Cl)	C(CClCC)(H)3	C(CClCC)(H)3	C(CCHH)(CH3)2(Cl)	C(CClCC)(H)3	C(CClCC)(H)3	111.0747	0.603	3	111.0747	0.364	3	111.5860	0.551	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(Cl)	C(CClCC)(H)3	C(CClCC)(H)3	C(CCHN)(CH3)2(Cl)	C(CClCC)(H)3	C(CClCC)(H)3	111.8928	0.685	5	111.8928	0.469	5	111.5860	0.551	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	C(CCCH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	110.1100	0.420	2	110.1100	0.176	2	110.8323	1.673	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	C(CCFF)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	110.4300	1.198	4	110.4300	1.435	4	110.8323	1.673	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	C(CCHH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	111.6960	0.000	1	111.6960	0.000	1	110.8323	1.673	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	C(CC[5]HH)(CF3)2(F)	C(CCCF)(F)3	C(CCCF)(F)3	113.0220	0.000	1	113.0220	0.000	1	110.8323	1.673	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	C(CCCH)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	112.2810	0.000	1	112.2810	0.000	1	113.0480	0.509	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	C(CCHO)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	113.3520	0.000	2	113.3520	0.000	2	113.0480	0.509	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	C(CHHN)(CH3)2(F)	C(CCCF)(H)3	C(CCCF)(H)3	113.1275	1.118	2	113.1275	1.250	2	113.0480	0.509	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	C(CCCH)(H)3	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(Cl)3	C(CCCH)(H)3	111.4310	0.412	2	111.4310	0.169	2	111.4310	0.169	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CC[6a]HH)(CClHH)2(H)	C(CCCH)(Cl)(H)2	C(CCCH)(Cl)(H)2	C(CC[6a]HH)(CClHH)2(H)	C(CCCH)(Cl)(H)2	C(CCCH)(Cl)(H)2	113.3670	0.000	1	113.3670	0.000	1	111.6530	2.236	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	C(CCCH)(Cl)(H)2	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	C(CCCH)(Cl)(H)2	110.7960	0.255	2	110.7960	0.065	2	111.6530	2.236	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)2(H)	C(CCCH)(F)3	C(CCCH)(F)3	C(CCHN)(CF3)2(H)	C(CCCH)(F)3	C(CCCH)(F)3	109.9555	0.087	2	109.9555	0.008	2	109.9555	0.008	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(F)3	C(CCCH)(H)3	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(F)3	C(CCCH)(H)3	110.6230	0.376	2	110.6230	0.142	2	110.5867	0.075	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(F)3	C(CCCH)(H)3	C(CCHN)(CF3)(CH3)(H)	C(CCCH)(F)3	C(CCCH)(H)3	110.5140	0.000	1	110.5140	0.000	1	110.5867	0.075	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:F-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(F)(H)2	C(CCCH)(H)3	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(F)(H)2	C(CCCH)(H)3	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CAlHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.7030	0.915	104	109.7030	0.837	104	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CB[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CB[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3670	0.000	1	110.3670	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CB[5]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.9440	0.000	1	111.9440	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CBeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.8260	0.000	1	109.8260	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC3)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.6756	1.766	8	108.6756	3.120	8	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCF)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCCF)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	112.1030	0.000	1	112.1030	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.9893	1.910	78	109.9893	3.648	78	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.0077	0.886	17	110.0077	0.785	17	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.1416	1.283	17	109.1416	1.646	17	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCCS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.3640	0.000	1	109.3640	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6474	1.349	723	110.6474	1.821	723	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6999	1.327	463	110.6999	1.760	463	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4762	0.849	62	110.4762	0.721	62	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	113.2929	6.209	12	113.2929	38.557	12	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCSS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCSS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3180	1.928	2	110.3180	3.716	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3,5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.7770	0.000	1	108.7770	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4570	0.520	2	109.4570	0.271	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3]CO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.3945	1.896	4	109.3945	3.596	4	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.2510	0.000	1	110.2510	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6762	0.347	4	110.6762	0.120	4	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4500	2.126	4	109.4500	4.522	4	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3030	0.000	1	110.3030	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[4,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8027	0.702	3	110.8027	0.493	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[4,5]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.3020	0.000	1	111.3020	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,6]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[4,6]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8140	0.000	1	110.8140	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3447	0.661	6	110.3447	0.437	6	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[4]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8030	0.000	1	110.8030	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.6910	0.185	3	109.6910	0.034	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5,6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	105.7910	5.975	2	105.7910	35.701	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]CC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.3215	0.037	2	108.3215	0.001	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.9910	0.916	7	109.9910	0.838	7	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CoC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]CoC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3590	0.000	1	110.3590	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]GdO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]GdO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8567	1.707	3	110.8567	2.913	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.6358	1.247	78	110.6358	1.555	78	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.2412	0.484	4	111.2412	0.234	4	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.1919	0.840	7	110.1919	0.706	7	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]TbO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]TbO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.1773	0.405	3	111.1773	0.164	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]TmO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5]TmO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5177	0.525	3	111.5177	0.275	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.9725	0.351	2	111.9725	0.124	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]CN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8240	0.000	1	110.8240	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.9881	0.774	20	110.9881	0.599	20	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[5a]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5007	1.291	12	111.5007	1.666	12	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.0688	0.980	9	109.0688	0.960	9	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.5416	0.745	43	110.5416	0.555	43	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.8050	0.000	1	109.8050	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.2136	0.709	13	110.2136	0.503	13	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]2C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.5580	0.000	1	109.5580	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]2H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.6070	0.000	1	109.6070	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]CC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	106.3050	0.000	1	106.3050	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.2345	0.741	15	110.2345	0.549	15	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]CO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.9094	0.478	5	108.9094	0.229	5	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]C[5]O)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4630	0.051	2	109.4630	0.003	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]C[6]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.7985	0.375	2	109.7985	0.141	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.3365	3.241	79	110.3365	10.506	79	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]HN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.9987	0.924	12	109.9987	0.854	12	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CC[6a]HO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.7387	0.702	7	110.7387	0.493	7	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCl2C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCl2C)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.7320	0.000	1	109.7320	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CClCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4080	0.482	2	109.4080	0.233	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCoHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	107.5940	0.000	1	107.5940	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCrHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CCrHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.8380	0.725	4	108.8380	0.526	4	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CFeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.7010	0.000	1	109.7010	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CGeHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.9177	0.482	6	109.9177	0.232	6	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.2143	1.691	186	111.2143	2.859	186	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.4924	1.700	155	111.4924	2.891	155	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.2089	1.111	20	110.2089	1.234	20	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHHS)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.9976	0.714	8	110.9976	0.510	8	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHNP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.8960	0.000	1	110.8960	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.7127	0.535	3	110.7127	0.286	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHOP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CHOP)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.1120	0.000	1	111.1120	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CIn[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CIn[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.1995	0.231	6	110.1995	0.054	6	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMgOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CMgOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	113.6120	0.000	1	113.6120	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMnOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CMnOO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.4700	0.000	1	111.4700	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CMoHO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.0650	0.276	2	110.0650	0.076	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoSiH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CMoSiH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4010	0.000	1	109.4010	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5,5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.7130	0.000	1	109.7130	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.0470	0.880	11	110.0470	0.775	11	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.2361	1.637	159	111.2361	2.681	159	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5a]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.0827	0.093	3	110.0827	0.009	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]C[5]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5a]C[5]H)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.5260	0.000	1	110.5260	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[5a]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.2635	1.130	28	111.2635	1.277	28	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.7056	0.639	9	110.7056	0.409	9	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CN[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.5675	0.838	6	111.5675	0.703	6	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CNiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.0580	0.000	1	108.0580	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CP[4]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4515	1.548	2	110.4515	2.396	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6,6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.8945	0.906	6	109.8945	0.820	6	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CP[6]HH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.4190	0.000	1	110.4190	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CPdHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.8225	0.153	2	109.8225	0.024	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuCC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CRuCC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.6545	0.856	2	108.6545	0.733	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CRuCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.6040	0.341	2	108.6040	0.116	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CS[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CS[6]CH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.4890	0.000	1	111.4890	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiCC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CSiCC)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.2793	0.192	3	108.2793	0.037	3	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.9481	2.242	38	109.9481	5.025	38	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHW)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CSiHW)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.4540	0.000	1	108.4540	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CTaHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	108.3780	0.000	1	108.3780	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CTiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.3170	0.000	1	109.3170	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CZrHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4460	0.000	2	109.4460	0.000	2	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrNN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CZrNN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	111.1180	0.000	1	111.1180	0.000	1	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrNO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CZrNO)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.7731	0.545	8	110.7731	0.297	8	110.6507	2.616	2549	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(O)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(O)	C(CCCO)(F)3	C(CCCO)(F)3	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCH)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	115.6480	0.000	1	115.6480	0.000	1	109.2834	6.043	22	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	109.6406	0.661	14	109.6406	0.437	14	109.2834	6.043	22	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(H)3	110.7510	0.000	1	110.7510	0.000	1	109.2834	6.043	22	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(O)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(O)	C(CCCO)(H)3	C(CCCO)(H)3	107.1445	3.141	6	107.1445	9.865	6	109.2834	6.043	22	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NC3)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NC3)(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.8833	0.734	3	110.8833	0.539	3	112.3417	4.921	19	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(CH3)2(NH3)(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.6151	2.308	16	112.6151	5.329	16	112.3417	4.921	19	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PC3)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PC3)(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0330	0.038	2	111.0330	0.001	2	110.5520	0.695	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PO3)(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(CH3)2(PO3)(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.5900	0.000	1	109.5900	0.000	1	110.5520	0.695	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	C(CC[3,3,5]CH)(H)3	C(CC[3,3,5]CH)(H)3	C(C[3,3,5]Nb[10x3,4]C[3,3,5]2)(CH3)2(H)	C(CC[3,3,5]CH)(H)3	C(CC[3,3,5]CH)(H)3	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CC[3,5]CH)(H)3	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CC[3,5]CH)(H)3	C(CC[3,5]CH)(H)3	111.2758	0.177	6	111.2758	0.031	6	111.0559	0.365	7	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	C(CC[3,5]CH)(H)3	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	C(CC[3,5]CH)(H)3	C(CC[3,5]CH)(H)3	109.7360	0.000	1	109.7360	0.000	1	111.0559	0.365	7	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	110.2890	0.000	1	110.2890	0.000	1	111.1362	0.685	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	111.6160	0.000	1	111.6160	0.000	1	111.1362	0.685	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	110.5200	0.000	1	110.5200	0.000	1	111.1362	0.685	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C(CC[3,6]CH)(H)3	C(CC[3,6]CH)(H)3	111.6280	0.963	2	111.6280	0.928	2	111.1362	0.685	5	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,5]C[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3,5]C[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.7640	0.000	1	111.7640	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.7160	0.000	1	111.7160	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.7580	0.129	2	111.7580	0.017	2	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,6]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3,6]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.4190	0.000	1	111.4190	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2C)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]2C)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	110.5020	0.000	1	110.5020	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2F)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]2F)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	113.8360	0.000	1	113.8360	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.3820	0.000	1	111.3820	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]N[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]N[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.5575	0.566	2	111.5575	0.321	2	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]C)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	112.8205	0.842	2	112.8205	0.709	2	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	112.4705	0.962	2	112.4705	0.926	2	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]O[3]P[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	C(C[3]O[3]P[3]H)(CH3)2(H)	C(CC[3]CH)(H)3	C(CC[3]CH)(H)3	111.6440	0.000	1	111.6440	0.000	1	111.9651	0.775	15	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	C(C[3x6]C[5,6,6]C[6,6]2)(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	109.6290	0.488	2	109.6290	0.238	2	110.0096	0.333	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	110.3727	0.212	3	110.3727	0.045	3	110.0096	0.333	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	109.4530	0.280	2	109.4530	0.078	2	110.0096	0.333	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	C(CC[3x6]CH)(H)3	C(CC[3x6]CH)(H)3	110.7950	0.000	1	110.7950	0.000	1	110.0096	0.333	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	C(CC[4,5]CH)(H)3	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[4,6]N[5])(CH3)2(H)	C(CC[4,5]CH)(H)3	C(CC[4,5]CH)(H)3	110.8540	0.000	1	110.8540	0.000	1	109.8415	2.050	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	C(CC[4,5]CH)(H)3	C(CC[4,5]CH)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)2(H)	C(CC[4,5]CH)(H)3	C(CC[4,5]CH)(H)3	108.8290	0.000	1	108.8290	0.000	1	109.8415	2.050	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	110.0960	0.000	1	110.0960	0.000	1	110.5890	1.097	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2N)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	C(C[4]C[4]2N)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	112.0095	0.853	2	112.0095	0.728	2	110.5890	1.097	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]N[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	C(C[4]C[4]N[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	111.3320	0.000	1	111.3320	0.000	1	110.5890	1.097	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]O[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	C(C[4]C[4]O[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	110.7303	0.943	6	110.7303	0.889	6	110.5890	1.097	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]P[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	C(C[4]C[4]P[4]H)(CH3)2(H)	C(CC[4]CH)(H)3	C(CC[4]CH)(H)3	109.6043	0.293	4	109.6043	0.086	4	110.5890	1.097	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C(CC[4x6]CH)(H)3	C(CC[4x6]CH)(H)3	C(C[4x6]C[3x6]C[6,6]P[3x6])(CH3)2(H)	C(CC[4x6]CH)(H)3	C(CC[4x6]CH)(H)3	108.9580	0.023	2	108.9580	0.001	2	108.9580	0.001	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,3x6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C(CC[5,3x6]CH)(H)3	C(CC[5,3x6]CH)(H)3	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C(CC[5,3x6]CH)(H)3	C(CC[5,3x6]CH)(H)3	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	C(CC[5,5,6]CH)(H)3	111.6960	0.000	1	111.6960	0.000	1	111.6165	0.013	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C(CC[5,5,6]CH)(H)3	C(CC[5,5,6]CH)(H)3	111.5370	0.000	1	111.5370	0.000	1	111.6165	0.013	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	108.6650	0.000	1	108.6650	0.000	1	109.8208	3.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	110.1850	0.239	2	110.1850	0.057	2	109.8208	3.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	107.5200	0.000	1	107.5200	0.000	1	109.8208	3.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	113.2350	0.000	1	113.2350	0.000	1	109.8208	3.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C(CC[5,5]CH)(H)3	C(CC[5,5]CH)(H)3	109.1350	0.000	1	109.1350	0.000	1	109.8208	3.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C(CC[5,6,6]CF)(F)3	C(CC[5,6,6]CF)(F)3	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C(CC[5,6,6]CF)(F)3	C(CC[5,6,6]CF)(F)3	110.4022	0.562	6	110.4022	0.316	6	110.4022	0.316	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C(CC[5,6,6]CH)(H)3	C(CC[5,6,6]CH)(H)3	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C(CC[5,6,6]CH)(H)3	C(CC[5,6,6]CH)(H)3	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	110.8060	0.000	1	110.8060	0.000	1	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	111.8340	0.000	1	111.8340	0.000	1	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	109.5520	0.000	1	109.5520	0.000	1	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	109.6170	0.000	1	109.6170	0.000	1	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]2H)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2H)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	112.0515	1.232	2	112.0515	1.519	2	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	108.3505	0.101	2	108.3505	0.010	2	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	110.8250	0.000	1	110.8250	0.000	1	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	109.8647	1.084	6	109.8647	1.174	6	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	110.7397	0.399	3	110.7397	0.159	3	110.2692	1.592	18	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:Cl-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(Cl)	C(CC[5]ClC)(H)3	C(CC[5]ClC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(Cl)	C(CC[5]ClC)(H)3	C(CC[5]ClC)(H)3	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(F)	C(CC[5]CF)(H)3	C(CC[5]CF)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(F)	C(CC[5]CF)(H)3	C(CC[5]CF)(H)3	111.6795	0.012	2	111.6795	0.000	2	111.6795	0.000	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]N[5]H)(CF3)2(H)	C(CC[5]CH)(F)3	C(CC[5]CH)(F)3	C(C[5]C[5]N[5]H)(CF3)2(H)	C(CC[5]CH)(F)3	C(CC[5]CH)(F)3	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.6085	0.091	2	110.6085	0.008	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.1290	0.000	1	111.1290	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.5905	0.118	2	109.5905	0.014	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.1410	0.000	1	110.1410	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.0680	0.000	1	109.0680	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	108.4280	1.020	2	108.4280	1.040	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.9540	0.835	5	109.9540	0.698	5	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.0235	0.446	4	111.0235	0.199	4	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	108.9440	1.089	2	108.9440	1.186	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.4280	0.000	1	109.4280	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.9345	0.066	2	109.9345	0.004	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.0720	0.064	2	111.0720	0.004	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.6150	0.597	2	109.6150	0.356	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.6103	0.701	12	109.6103	0.492	12	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.2294	1.067	27	109.2294	1.138	27	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.7064	0.826	60	109.7064	0.682	60	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.2290	0.860	2	110.2290	0.739	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.1238	1.221	4	110.1238	1.492	4	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.4360	0.000	1	110.4360	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	108.9300	0.000	1	108.9300	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.4840	0.539	3	111.4840	0.291	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.9360	0.955	2	110.9360	0.911	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.8130	0.000	1	111.8130	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ca)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Ca)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.9748	3.608	8	111.9748	13.016	8	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Dy)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Dy)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	116.4420	0.795	5	116.4420	0.632	5	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.5139	2.182	39	110.5139	4.763	39	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.7241	1.096	27	109.7241	1.202	27	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2La)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2La)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.9423	0.705	3	110.9423	0.497	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ni)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Ni)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.3531	1.017	58	110.3531	1.034	58	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Re)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Re)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.7163	0.542	3	109.7163	0.294	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Rh)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Rh)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.7667	1.105	3	111.7667	1.221	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Sm)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Sm)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.1760	0.116	2	110.1760	0.013	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Tb)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Tb)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	112.0216	0.290	5	112.0216	0.084	5	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Ti)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.2150	0.000	1	110.2150	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2U)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2U)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	108.6462	1.000	17	108.6462	1.001	17	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.3785	0.012	2	111.3785	0.000	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.1780	0.801	22	110.1780	0.641	22	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.0936	1.145	415	111.0936	1.310	415	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]Mo)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]Mo)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.4325	0.600	2	110.4325	0.360	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	108.6867	1.906	3	108.6867	3.634	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.7645	0.583	4	110.7645	0.340	4	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.9890	0.000	1	110.9890	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5]P[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.1733	1.624	19	109.1733	2.639	19	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.4785	0.960	2	110.4785	0.921	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.6993	0.890	3	110.6993	0.793	3	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.2623	0.598	16	111.2623	0.358	16	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	110.8815	0.771	6	110.8815	0.595	6	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.8986	0.730	5	109.8986	0.533	5	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5]O[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.9315	1.418	2	111.9315	2.010	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]S[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]N[5]S[5]H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	111.2805	0.115	2	111.2805	0.013	2	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]O[5]2C)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	109.6485	0.307	4	109.6485	0.094	4	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	C(C[5]O[5]2H)(CH3)2(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(H)3	95.1929	0.000	1	95.1929	0.000	1	110.6164	2.381	820	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:I-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)2(I)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C(CC[5]CH)(H)2(I)	C(CC[5]CH)(H)3	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:I-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(I)	C(CC[5]CI)(H)3	C(CC[5]CI)(H)3	C(C[5]C[5]O[5]H)(CH3)2(I)	C(CC[5]CI)(H)3	C(CC[5]CI)(H)3	111.6977	0.491	3	111.6977	0.241	3	111.6977	0.241	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(O)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(O)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	110.0340	0.467	2	110.0340	0.218	2	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	109.3940	0.000	1	109.3940	0.000	1	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[4,6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	109.7490	0.000	1	109.7490	0.000	1	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[5,6,6]C[3x6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	109.0170	1.423	3	109.0170	2.024	3	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6,6a]C[4,6,6]H)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	108.4910	0.000	1	108.4910	0.000	1	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]2)(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	108.8490	0.000	1	108.8490	0.000	1	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(H)	C(CC[6,6]CH)(H)3	C(CC[6,6]CH)(H)3	109.9590	0.000	1	109.9590	0.000	1	109.3561	0.784	10	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:Cl-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(Cl)	C(CC[6]ClC)(H)3	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CH3)2(Cl)	C(CC[6]ClC)(H)3	C(CC[6]ClC)(H)3	109.4450	0.677	3	109.4450	0.458	3	109.4450	0.458	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(F)	C(CC[6]CF)(H)3	C(CC[6]CF)(H)3	C(C[6]C[6]2H)(CH3)2(F)	C(CC[6]CF)(H)3	C(CC[6]CF)(H)3	112.4865	0.955	2	112.4865	0.913	2	112.6487	0.535	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:F-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]2H)(CH3)2(F)	C(CC[6]CF)(H)3	C(CC[6]CF)(H)3	C(C[6]N[6]2H)(CH3)2(F)	C(CC[6]CF)(H)3	C(CC[6]CF)(H)3	112.9730	0.000	1	112.9730	0.000	1	112.6487	0.535	3	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:D-1:D-1:D-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(D)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CD3)(CH3)(H)	C(CC[6]CH)(D)3	C(CC[6]CH)(H)3	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]B[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]B[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.1535	0.404	2	109.1535	0.163	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]B[6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]B[6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.1960	1.635	2	109.1960	2.673	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.7090	0.459	11	109.7090	0.211	11	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[3,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.0015	0.279	2	110.0015	0.078	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.4510	0.000	1	109.4510	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.6120	0.000	1	109.6120	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	108.5730	0.000	1	108.5730	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.5040	0.000	1	109.5040	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.9700	0.000	1	109.9700	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.4096	1.172	45	109.4096	1.373	45	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.8705	0.708	2	109.8705	0.501	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.9040	0.653	2	109.9040	0.427	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.1352	0.827	4	110.1352	0.684	4	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[5a,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.4845	0.501	2	111.4845	0.251	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.3703	2.608	37	109.3703	6.799	37	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	107.1280	0.000	1	107.1280	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.5025	0.655	2	109.5025	0.430	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.5843	0.420	3	110.5843	0.176	3	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]2O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]2O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.7025	2.256	2	109.7025	5.091	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[3x6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	108.9657	0.647	7	108.9657	0.419	7	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]B[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.4280	1.221	9	109.4280	1.491	9	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[3,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.3680	0.000	1	111.3680	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6,6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.7390	0.909	2	110.7390	0.827	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.6890	0.000	1	109.6890	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.0689	1.004	12	110.0689	1.009	12	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.2330	0.267	2	110.2330	0.071	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.4130	0.386	2	110.4130	0.149	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3403	0.466	3	110.3403	0.217	3	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.4600	0.000	1	111.4600	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6,6a]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.9270	0.000	1	111.9270	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.2197	0.861	10	110.2197	0.741	10	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ca)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Ca)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.6375	0.835	4	110.6375	0.698	4	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Co)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Co)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.0084	1.151	9	110.0084	1.325	9	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Cr)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Cr)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3324	0.469	5	110.3324	0.220	5	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Cu)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.7420	0.247	2	110.7420	0.061	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Fe)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Fe)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.1318	0.801	9	110.1318	0.642	9	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.1129	0.980	364	110.1129	0.960	364	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ir)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Ir)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.5907	1.237	7	109.5907	1.529	7	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Li)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Li)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.3790	0.706	2	109.3790	0.498	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Mo)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Mo)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.5996	0.919	27	110.5996	0.845	27	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2N)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2N)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.7730	0.354	2	110.7730	0.125	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ni)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Ni)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3462	0.479	4	110.3462	0.229	4	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2O)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3283	0.740	11	110.3283	0.548	11	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Os)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Os)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.0627	1.112	65	111.0627	1.236	65	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Pd)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Pd)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.0117	0.267	4	110.0117	0.072	4	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Rh)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Rh)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.9255	0.008	2	109.9255	0.000	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ru)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Ru)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.0227	1.432	727	111.0227	2.051	727	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Sm)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Sm)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.6583	0.429	6	109.6583	0.184	6	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2W)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2W)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.5770	0.571	3	110.5770	0.326	3	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Yb)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]2Yb)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.8830	1.293	3	110.8830	1.673	3	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.8699	1.004	28	110.8699	1.008	28	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]S)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]S)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.1150	0.000	1	111.1150	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]C)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.8550	0.000	1	110.8550	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.2385	1.197	21	111.2385	1.432	21	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[5,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.5486	0.664	8	110.5486	0.441	8	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.1010	0.000	1	110.1010	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3030	0.780	5	110.3030	0.608	5	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[6]O[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.5550	0.130	2	110.5550	0.017	2	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]P[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]N[6]P[6]H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	110.3430	0.000	1	110.3430	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]O[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]O[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	111.1608	0.547	4	111.1608	0.299	4	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CH3)2(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(H)3	109.6720	0.000	1	109.6720	0.000	1	110.5896	1.911	1502	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	C(CGaCH)(H)3	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	C(CGaCH)(H)3	110.7352	0.227	4	110.7352	0.052	4	110.7352	0.052	4	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ga[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	C(CGa[6,6]CH)(H)3	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	C(CGa[6,6]CH)(H)3	109.7156	0.938	8	109.7156	0.880	8	109.7156	0.880	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ga[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6]N[6]2Te)(CH3)2(H)	C(CGa[6]CH)(H)3	C(CGa[6]CH)(H)3	C(Ga[6]N[6]2Te)(CH3)2(H)	C(CGa[6]CH)(H)3	C(CGa[6]CH)(H)3	110.3370	0.000	1	110.3370	0.000	1	110.3370	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeC3)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	C(GeC3)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	111.4082	0.512	30	111.4082	0.262	30	111.1416	0.500	44	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	C(GeGeCC)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	110.4174	0.495	13	110.4174	0.245	13	111.1416	0.500	44	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeSiCC)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	C(GeSiCC)(CH3)2(H)	C(CGeCH)(H)3	C(CGeCH)(H)3	112.5600	0.000	1	112.5600	0.000	1	111.1416	0.500	44	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[5]N[5]2Cd)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Cd)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	113.2230	3.824	3	113.2230	14.622	3	113.3364	4.051	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[5]N[5]2Pt)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Pt)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	113.5542	1.779	8	113.5542	3.166	8	113.3364	4.051	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[5]N[5]2Se)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Se)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	112.8720	0.000	1	112.8720	0.000	1	113.3364	4.051	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ge[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[5]N[5]2Zn)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	C(Ge[5]N[5]2Zn)(CH3)2(H)	C(CGe[5]CH)(H)3	C(CGe[5]CH)(H)3	112.8670	0.431	2	112.8670	0.186	2	113.3364	4.051	14	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	In-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(InCSS)(CH3)2(H)	C(CInCH)(H)3	C(CInCH)(H)3	C(InCSS)(CH3)2(H)	C(CInCH)(H)3	C(CInCH)(H)3	111.1560	0.625	2	111.1560	0.391	2	111.1560	0.391	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	In[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(In[6]N[6]2I)(CH3)2(H)	C(CIn[6]CH)(H)3	C(CIn[6]CH)(H)3	C(In[6]N[6]2I)(CH3)2(H)	C(CIn[6]CH)(H)3	C(CIn[6]CH)(H)3	113.3940	0.000	1	113.3940	0.000	1	113.3940	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAl2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NAl2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.7260	0.129	2	109.7260	0.017	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NBCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.3921	0.880	10	111.3921	0.774	10	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NBHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1000	0.000	1	112.1000	0.000	1	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NB[6]PdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NB[6]PdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.6455	0.547	2	111.6455	0.299	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBa2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NBa2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4240	0.566	2	110.4240	0.320	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.2082	2.856	50	112.2082	8.157	50	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.3417	0.956	181	112.3417	0.914	181	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[4]CH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.1155	2.623	2	111.1155	6.878	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6]HH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.5775	0.091	2	112.5775	0.008	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]BH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3260	0.554	2	110.3260	0.307	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NC[6a]CH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.6910	0.041	2	113.6910	0.002	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCdCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCdCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.6410	0.000	1	110.6410	0.000	1	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCoCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1645	0.682	4	110.1645	0.466	4	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCoCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.0115	0.914	4	110.0115	0.836	4	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCrCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	108.9754	0.784	5	108.9754	0.614	5	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCrHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.3135	0.824	2	111.3135	0.679	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NCuCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.2966	0.700	32	110.2966	0.490	32	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NFeCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4934	0.506	13	110.4934	0.256	13	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NIrCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.3282	1.597	4	109.3282	2.552	4	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLi2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.5113	0.880	7	109.5113	0.774	7	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLi2P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.7150	0.000	1	110.7150	0.000	1	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLiCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3539	0.592	7	110.3539	0.350	7	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiMgC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLiMgC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.2811	0.454	7	109.2811	0.206	7	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiNdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NLiNdC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3202	0.599	6	110.3202	0.359	6	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMg2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMg2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.6311	1.037	8	109.6311	1.076	8	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMgCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.8395	0.554	2	109.8395	0.307	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoSiH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NMoSiH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.6120	0.000	1	111.6120	0.000	1	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNiCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3025	0.726	11	110.3025	0.528	11	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NNiCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.8610	4.320	2	113.8610	18.666	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPd2P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NPd2P)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	111.7737	0.607	9	111.7737	0.368	9	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NPdCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.0946	0.771	15	110.0946	0.594	15	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NPdCH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	112.1773	1.089	4	112.1773	1.186	4	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NPtHH)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	113.2830	2.162	2	113.2830	4.676	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NRhCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.3780	0.933	4	109.3780	0.871	4	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRu2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NRu2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.3907	1.532	9	110.3907	2.347	9	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSr2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NSr2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.1465	0.760	2	110.1465	0.578	2	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZn2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZn2C)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	109.9164	0.382	8	109.9164	0.146	8	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	C(NZnCC)(CH3)2(H)	C(CCHN)(H)3	C(CCHN)(H)3	110.4437	0.648	6	110.4437	0.420	6	111.4430	2.877	432	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CN[3,5]CH)(H)3	C(CN[3,5]CH)(H)3	C(N[3,5]C[3,5]C[3]C[5])(CH3)2(H)	C(CN[3,5]CH)(H)3	C(CN[3,5]CH)(H)3	112.3650	0.000	1	112.3650	0.000	1	112.3650	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N[5,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	C(CN[5,5]CH)(H)3	C(CN[5,5]CH)(H)3	C(N[5,5]C[5,5,6]2H)(CH3)2(H)	C(CN[5,5]CH)(H)3	C(CN[5,5]CH)(H)3	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]O[5]C)(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	C(N[5]C[5]O[5]C)(CH3)2(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(H)3	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	108.4900	1.196	2	108.4900	1.431	2	110.2120	2.149	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	C(CN[6]CH)(H)3	111.0730	0.372	4	111.0730	0.139	4	110.2120	2.149	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiZn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OLiZn2)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.7307	0.494	3	111.7307	0.244	3	111.1518	0.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OTi3)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OTi3)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	110.1435	0.689	2	110.1435	0.475	2	111.1518	0.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZn3)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	C(OZn3)(CH3)2(H)	C(CCHO)(H)3	C(CCHO)(H)3	111.4320	0.000	1	111.4320	0.000	1	111.1518	0.816	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(PC[6a]2Pt)(CF3)2(F)	C(CCFP)(F)3	C(CCFP)(F)3	C(PC[6a]2Pt)(CF3)2(F)	C(CCFP)(F)3	C(CCFP)(F)3	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAgCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PAgCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4768	1.007	4	111.4768	1.015	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAlCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PAlCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8803	0.355	4	110.8803	0.126	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.0490	1.403	2	112.0490	1.968	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAsCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PAsCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9928	0.458	4	109.9928	0.210	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PAuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2776	1.086	7	111.2776	1.180	7	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7536	0.885	10	110.7536	0.784	10	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1580	0.637	12	110.1580	0.406	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7440	1.978	2	110.7440	3.914	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.9918	0.397	6	111.9918	0.158	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3868	1.021	6	111.3868	1.043	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6192	1.487	9	111.6192	2.210	9	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7307	0.863	44	110.7307	0.744	44	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0848	1.261	6	111.0848	1.590	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3343	0.542	3	110.3343	0.294	3	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6684	1.583	18	111.6684	2.505	18	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2407	1.251	16	111.2407	1.564	16	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7329	2.215	61	110.7329	4.907	61	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5613	0.762	4	110.5613	0.580	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCII)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCII)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3043	2.590	6	110.3043	6.709	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3615	0.288	2	111.3615	0.083	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8564	0.899	5	110.8564	0.808	5	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1746	0.641	14	111.1746	0.411	14	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9505	0.507	2	110.9505	0.257	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1243	1.624	204	111.1243	2.638	204	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0245	0.805	2	111.0245	0.649	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCNW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8187	0.658	4	109.8187	0.433	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCOW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCOW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2240	0.601	4	111.2240	0.361	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCPW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCPW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.2885	3.294	4	112.2885	10.851	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1697	0.395	6	111.1697	0.156	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1160	0.778	4	110.1160	0.605	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.7575	2.010	2	112.7575	4.041	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]AgC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8555	1.641	8	109.8555	2.692	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.2735	0.344	2	109.2735	0.119	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[3x3,4,3x5,14x6]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	108.8555	1.664	4	108.8555	2.770	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.0260	2.555	4	112.0260	6.530	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3347	0.719	8	111.3347	0.518	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6220	1.782	2	111.6220	3.175	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4114	0.910	36	110.4114	0.829	36	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.2668	0.830	20	110.2668	0.690	20	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.6655	0.359	2	109.6655	0.129	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8525	0.493	2	109.8525	0.243	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6497	0.755	4	110.6497	0.571	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0143	1.439	4	110.0143	2.072	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0883	0.874	19	111.0883	0.764	19	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]MnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]MnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.1783	2.093	4	109.1783	4.379	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]MoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]MoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2790	1.389	2	111.2790	1.929	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9868	0.529	4	110.9868	0.279	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4581	1.054	30	110.4581	1.112	30	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7798	0.798	16	110.7798	0.636	16	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]ReC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]ReC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	108.9832	2.643	12	108.9832	6.986	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6947	1.226	28	110.6947	1.504	28	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1701	1.234	62	110.1701	1.522	62	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2801	0.903	32	111.2801	0.815	32	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9219	0.762	38	110.9219	0.580	38	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0558	0.271	6	111.0558	0.073	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8431	0.773	12	110.8431	0.597	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.0435	2.334	2	112.0435	5.448	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.3825	1.285	2	109.3825	1.651	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.2193	0.352	4	110.2193	0.124	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]CY)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]CY)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0815	0.639	4	111.0815	0.409	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7105	2.129	4	110.7105	4.534	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.1789	5.187	8	109.1789	26.906	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2345	0.927	2	111.2345	0.859	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]ScC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]ScC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4255	2.681	2	111.4255	7.186	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]TiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]TiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5267	0.630	9	110.5267	0.397	9	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]ZrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6]ZrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.7140	2.506	2	111.7140	6.280	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9570	0.809	3	110.9570	0.654	3	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Co)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Co)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4630	0.465	2	111.4630	0.216	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Cu)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Cu)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.2845	0.221	2	110.2845	0.049	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Fe)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Fe)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4600	0.000	1	110.4600	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Mo)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Mo)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	113.3100	0.000	1	113.3100	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.6830	1.305	2	112.6830	1.704	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Pd)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.9630	0.000	1	111.9630	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pt)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Pt)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4270	0.000	1	110.4270	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ru)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2Ru)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6895	0.698	2	111.6895	0.487	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9875	0.479	2	109.9875	0.229	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.8593	1.878	3	111.8593	3.528	3	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AgC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]AgC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9642	1.027	12	110.9642	1.055	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AlC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]AlC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7618	0.350	26	110.7618	0.123	26	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]AuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1725	1.314	38	111.1725	1.727	38	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9896	1.028	5	110.9896	1.056	5	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2787	0.801	15	111.2787	0.641	15	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.9537	0.939	12	111.9537	0.882	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9086	1.097	22	110.9086	1.204	22	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4550	1.033	39	110.4550	1.067	39	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3920	1.347	16	110.3920	1.815	16	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8423	1.191	12	109.8423	1.418	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CY)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CY)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9295	0.481	4	109.9295	0.231	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3873	1.181	154	110.3873	1.396	154	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6152	0.785	12	110.6152	0.616	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3803	1.091	58	110.3803	1.190	58	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]FeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8274	1.249	291	109.8274	1.560	291	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]HfC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]HfC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0295	0.380	2	110.0295	0.144	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5062	1.242	276	110.5062	1.542	276	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]MnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]MnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4215	0.693	8	110.4215	0.480	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]MoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]MoC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4826	1.527	83	110.4826	2.332	83	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9507	0.891	356	110.9507	0.794	356	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1080	0.000	1	111.1080	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]OsC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]OsC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3020	1.629	74	110.3020	2.654	74	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PbC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]PbC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0140	0.592	4	111.0140	0.351	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9194	0.951	377	110.9194	0.905	377	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdF)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]PdF)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9250	0.000	1	110.9250	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]PdO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6400	0.000	1	111.6400	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0948	1.268	104	111.0948	1.607	104	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ReC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]ReC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3455	1.019	8	110.3455	1.039	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]RhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6656	0.940	147	110.6656	0.884	147	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9055	0.950	56	109.9055	0.903	56	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ScC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]ScC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2560	0.837	2	111.2560	0.701	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.2830	0.585	12	110.2830	0.343	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]SnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]SnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7579	1.357	14	110.7579	1.840	14	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]TeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]TeC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9645	0.572	4	109.9645	0.327	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]TiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]TiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1160	1.794	12	111.1160	3.217	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ZnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[6a]ZnC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2697	1.200	20	111.2697	1.439	20	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2405	0.648	2	111.2405	0.420	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClRhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PClRhC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.7000	0.861	2	111.7000	0.742	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7292	1.176	223	110.7292	1.384	223	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1159	1.226	70	111.1159	1.503	70	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3157	0.967	28	110.3157	0.936	28	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8688	0.794	16	110.8688	0.630	16	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6184	1.132	119	110.6184	1.281	119	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCuCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4344	0.615	12	110.4344	0.379	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCuCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4430	0.214	4	111.4430	0.046	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PFeCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6125	1.609	246	110.6125	2.589	246	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PFeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8730	1.077	119	110.8730	1.161	119	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PFeCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1828	1.372	51	111.1828	1.883	51	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2595	0.077	2	111.2595	0.006	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2560	0.552	3	111.2560	0.305	3	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIr2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIr2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0863	0.735	4	110.0863	0.540	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1928	1.309	304	110.1928	1.712	304	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5931	1.358	28	110.5931	1.844	28	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIrCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2580	1.106	82	111.2580	1.222	82	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PIrCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3713	0.279	4	111.3713	0.078	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PLiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PLiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6248	0.783	17	110.6248	0.612	17	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMgCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMgCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3750	0.172	4	111.3750	0.030	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMnCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMnCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5968	0.925	75	110.5968	0.857	75	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7897	1.087	41	110.7897	1.181	41	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8726	0.948	40	110.8726	0.899	40	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6893	0.972	4	110.6893	0.944	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.9652	1.633	4	111.9652	2.668	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoSiH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PMoSiH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4510	0.000	1	111.4510	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5a]CuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0940	0.977	2	110.0940	0.955	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5a]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2983	0.471	6	111.2983	0.222	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5a]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.7255	0.274	4	111.7255	0.075	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5a]PtC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5795	1.951	2	110.5795	3.806	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[5a]RuC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5524	2.691	8	110.5524	7.240	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[6]IrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4740	0.915	2	110.4740	0.837	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[6]NiC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2535	0.221	2	111.2535	0.049	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PN[6]PdC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8200	0.199	4	110.8200	0.040	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNi2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNi2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5585	0.210	2	110.5585	0.044	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8212	0.985	771	110.8212	0.971	771	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1233	0.708	93	111.1233	0.502	93	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNiCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5328	0.776	346	111.5328	0.602	346	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNiCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2332	0.367	4	111.2332	0.134	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POsCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(POsCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.7404	1.220	661	109.7404	1.488	661	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPd2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPd2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5985	0.346	2	110.5985	0.120	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8802	0.980	199	110.8802	0.960	199	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6699	0.777	35	110.6699	0.603	35	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5763	0.943	102	111.5763	0.890	102	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6790	0.000	1	110.6790	0.000	1	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPt2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPt2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9420	0.250	2	109.9420	0.063	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPtCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7499	1.292	223	110.7499	1.669	223	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPtCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.2110	0.656	12	110.2110	0.430	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPtCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5425	1.285	18	111.5425	1.650	18	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPtCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.0930	0.171	2	110.0930	0.029	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PReCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5380	2.289	35	110.5380	5.238	35	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PReCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4627	1.979	4	111.4627	3.918	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PReCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6856	0.800	8	111.6856	0.640	8	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRhCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4839	1.259	267	110.4839	1.584	267	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRhCH)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.8615	1.511	2	109.8615	2.283	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRhCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0275	0.408	2	111.0275	0.166	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRhCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1955	1.188	57	111.1955	1.412	57	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRhCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4475	0.934	4	110.4475	0.872	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1618	1.384	475	110.1618	1.916	475	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4123	1.672	75	110.4123	2.795	75	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6420	1.313	72	110.6420	1.723	72	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.9052	1.069	6	110.9052	1.142	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PScCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PScCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0083	0.697	6	111.0083	0.485	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PScCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PScCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3830	1.074	4	110.3830	1.154	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8725	0.168	4	110.8725	0.028	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.6578	2.059	32	111.6578	4.241	32	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0619	1.003	110	111.0619	1.005	110	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSnCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSnCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6165	1.724	12	110.6165	2.974	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PTeCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.0939	0.675	97	111.0939	0.455	97	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PThCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PThCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2346	1.079	22	111.2346	1.164	22	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PTiCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5732	0.499	12	110.5732	0.249	12	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7701	0.962	18	110.7701	0.926	18	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PTiCP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.3685	0.244	2	110.3685	0.060	2	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZnCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PZnCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6497	0.859	4	110.6497	0.739	4	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZnCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PZnCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1344	1.146	24	111.1344	1.312	24	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PZrCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3146	1.667	13	111.3146	2.780	13	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PZrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4333	0.845	6	110.4333	0.714	6	110.6519	1.653	8556	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]2Mo)(CH3)2(H)	C(CP[3]CH)(H)3	C(CP[3]CH)(H)3	C(P[3]C[3]2Mo)(CH3)2(H)	C(CP[3]CH)(H)3	C(CP[3]CH)(H)3	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4,4]B[3x4]2C)(CH3)2(H)	C(CP[4,4]CH)(H)3	C(CP[4,4]CH)(H)3	C(P[4,4]B[3x4]2C)(CH3)2(H)	C(CP[4,4]CH)(H)3	C(CP[4,4]CH)(H)3	110.5373	0.436	4	110.5373	0.190	4	111.2258	1.259	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	C(CP[4,4]CH)(H)3	C(CP[4,4]CH)(H)3	C(P[4,4]P[3,4,4]2Cl)(CH3)2(H)	C(CP[4,4]CH)(H)3	C(CP[4,4]CH)(H)3	112.6030	0.195	2	112.6030	0.038	2	111.2258	1.259	6	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]B[4]2C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	C(P[4]B[4]2C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	109.7569	1.341	13	109.7569	1.798	13	110.3624	2.309	19	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4,4]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	C(P[4]C[4,4]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	111.2867	0.694	4	111.2867	0.481	4	110.3624	2.309	19	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	C(P[4]C[4,6,6]N[4]C)(CH3)2(H)	C(CP[4]CH)(H)3	C(CP[4]CH)(H)3	112.4490	1.283	2	112.4490	1.645	2	110.3624	2.309	19	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]B[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.5145	0.565	4	110.5145	0.320	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,5a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.2393	1.236	12	111.2393	1.528	12	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]2O)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	112.0790	0.337	2	112.0790	0.113	2	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]As[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.7342	0.623	6	111.7342	0.389	6	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.0140	1.472	2	110.0140	2.167	2	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]B[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.4173	1.112	12	111.4173	1.236	12	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.7886	0.477	14	111.7886	0.228	14	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.7415	0.359	2	111.7415	0.129	2	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.5097	0.795	14	110.5097	0.632	14	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]Nb[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.7065	1.236	4	110.7065	1.527	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5,6a]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.6997	1.325	18	111.6997	1.756	18	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Pd)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	112.1100	0.725	2	112.1100	0.526	2	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]C[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.8003	0.562	6	110.8003	0.316	6	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]In[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.5295	0.456	4	111.5295	0.208	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]N[5]P[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.0002	1.411	8	111.0002	1.992	8	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]N[5]S[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	110.4882	0.597	4	110.4882	0.357	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]Nb[5,5]C[5,6]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.2572	0.777	4	111.2572	0.604	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]P[4,5]C[5]O)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	112.5990	0.000	1	112.5990	0.000	1	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]Se[5]C[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.2345	0.448	4	111.2345	0.200	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	C(P[5]Se[5]N[5]C)(CH3)2(H)	C(CP[5]CH)(H)3	C(CP[5]CH)(H)3	111.1082	0.576	4	111.1082	0.332	4	111.2575	1.076	127	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:Se-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	C(CP[5]SeC)(H)3	C(CP[5]SeC)(H)3	C(P[5]C[5,6a]C[6a]O[5])(CH3)2(Se)	C(CP[5]SeC)(H)3	C(CP[5]SeC)(H)3	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	C(CP[6,6]CH)(H)3	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	C(CP[6,6]CH)(H)3	109.2910	0.304	2	109.2910	0.092	2	109.2910	0.092	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	110.2065	3.180	2	110.2065	10.112	2	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	110.7483	0.716	9	110.7483	0.513	9	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	111.0118	1.543	6	111.0118	2.381	6	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	112.9915	2.086	4	112.9915	4.351	4	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	111.6940	0.546	2	111.6940	0.298	2	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	C(CP[6]CH)(H)3	110.6295	0.932	8	110.6295	0.869	8	111.0842	2.170	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:Br-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CH3)2(Br)	C(CBrCS)(H)3	C(CBrCS)(H)3	C(SC[6a]OO)(CH3)2(Br)	C(CBrCS)(H)3	C(CBrCS)(H)3	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[5a]OO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.4147	0.646	4	112.4147	0.417	4	112.6109	0.663	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]IrO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]IrO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.0820	0.000	1	112.0820	0.000	1	112.6109	0.663	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SC[6a]OO)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	112.4790	0.660	2	112.4790	0.436	2	112.6109	0.663	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFe3)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	C(SFe3)(CH3)2(H)	C(CCHS)(H)3	C(CCHS)(H)3	114.1880	0.000	1	114.1880	0.000	1	112.6109	0.663	8	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CH3)2(C)	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCO)(CH3)2(C)	C(CSiCC)(H)3	C(CSiCC)(H)3	109.7220	0.000	1	109.7220	0.000	1	108.7215	2.002	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGeCC)(CH3)2(C)	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGeCC)(CH3)2(C)	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7210	0.000	1	107.7210	0.000	1	108.7215	2.002	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC3)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.4409	1.775	847	110.4409	3.152	847	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCCH)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1048	0.511	12	110.1048	0.261	12	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.9099	1.022	118	109.9099	1.044	118	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCCO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.3793	1.484	212	110.3793	2.201	212	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCCP)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.0827	0.825	12	110.0827	0.681	12	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCCS)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1405	1.054	18	110.1405	1.111	18	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.8195	0.722	4	109.8195	0.521	4	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiCOO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	111.1296	1.461	16	111.1296	2.135	16	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[4]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.0342	0.681	5	110.0342	0.464	5	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[5,5]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.5929	0.538	12	109.5929	0.289	12	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[5]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.5067	1.114	136	109.5067	1.242	136	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.3362	0.721	118	110.3362	0.519	118	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[5a]C[6a]C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.9900	0.489	12	109.9900	0.239	12	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.2024	0.840	49	110.2024	0.705	49	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6]ClC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1525	0.319	2	110.1525	0.102	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]BrC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1540	1.206	2	110.1540	1.455	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1045	0.579	10	110.1045	0.335	10	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]CH)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.4300	0.000	1	110.4300	0.000	1	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]CN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.6060	0.107	2	110.6060	0.012	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]CO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.7025	1.530	26	110.7025	2.340	26	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]CP)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.3665	0.395	6	110.3665	0.156	6	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]C[5]C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.0505	0.410	4	110.0505	0.168	4	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]ClC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.5740	0.076	2	110.5740	0.006	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]IrC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]IrC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.6510	0.225	2	110.6510	0.051	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]OO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.0900	0.455	4	110.0900	0.207	4	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiC[6a]SiC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.7795	0.591	13	109.7795	0.349	13	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiClCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.8110	1.496	3	109.8110	2.237	3	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiGeCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.7745	1.231	2	110.7745	1.516	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiIrCO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiIrCO)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.9371	0.660	7	109.9371	0.436	7	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiN[5a]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.3531	0.443	15	110.3531	0.196	15	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiO3)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	111.3776	1.592	17	111.3776	2.533	17	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiRhCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiRhCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.1947	0.078	3	109.1947	0.006	3	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSi2C)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.0595	0.039	2	110.0595	0.002	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSiCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.1913	0.934	34	109.1913	0.872	34	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSi[3]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.3270	0.565	23	109.3270	0.320	23	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSi[4]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	108.8955	0.617	2	108.8955	0.381	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSi[6]CC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.2410	0.707	2	109.2410	0.500	2	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSnCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSnCC)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.1060	0.000	1	110.1060	0.000	1	110.2547	2.272	1756	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	C(CSi[3]CH)(H)3	C(Si[3]Si[3]C[3]C)(CH3)2(H)	C(CSi[3]CH)(H)3	C(CSi[3]CH)(H)3	110.9790	0.000	1	110.9790	0.000	1	110.9790	0.000	1	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[3x4]P[3x4]C)(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	110.9463	0.463	6	110.9463	0.215	6	111.5042	1.238	45	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]2Si[4])(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	111.4328	0.575	14	111.4328	0.331	14	111.5042	1.238	45	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4,4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4,4]Si[4,4]3)(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	C(Si[4,4]Si[4,4]3)(CH3)2(H)	C(CSi[4,4]CH)(H)3	C(CSi[4,4]CH)(H)3	111.6780	1.391	25	111.6780	1.934	25	111.5042	1.238	45	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]N[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	C(Si[4]N[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	111.0297	0.350	3	111.0297	0.122	3	109.7852	1.888	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	C(Si[4]Si[4,4]Si[4]C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	109.7350	1.331	27	109.7350	1.770	27	109.7852	1.888	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]Si[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	C(Si[4]Si[4]2C)(CH3)2(H)	C(CSi[4]CH)(H)3	C(CSi[4]CH)(H)3	107.4070	0.000	1	107.4070	0.000	1	109.7852	1.888	31	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,5]2C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]2C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	110.4929	1.427	14	110.4929	2.037	14	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5,5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	110.6840	1.727	4	110.6840	2.982	4	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5,5a]C[5,6a]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	112.5234	2.709	14	112.5234	7.339	14	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5,6a]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	110.6025	0.401	4	110.6025	0.161	4	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5]N[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5]N[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	108.9869	0.885	8	108.9869	0.784	8	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]C[5]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	110.4693	0.673	12	110.4693	0.453	12	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	C(Si[5]P[5,6]O[5]C)(CH3)2(H)	C(CSi[5]CH)(H)3	C(CSi[5]CH)(H)3	109.8888	0.765	4	109.8888	0.585	4	110.7409	3.684	60	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6,6]P[6,6]2C)(CH3)2(H)	C(CSi[6,6]CH)(H)3	C(CSi[6,6]CH)(H)3	C(Si[6,6]P[6,6]2C)(CH3)2(H)	C(CSi[6,6]CH)(H)3	C(CSi[6,6]CH)(H)3	110.2235	0.192	2	110.2235	0.037	2	110.2235	0.037	2	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	C(Si[6]C[6,6a]C[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	110.0702	0.398	6	110.0702	0.159	6	110.4925	0.949	16	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]C[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	C(Si[6]C[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	110.2165	0.828	2	110.2165	0.686	2	110.4925	0.949	16	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]O[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	C(Si[6]O[6]2C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	112.3960	1.351	2	112.3960	1.824	2	110.4925	0.949	16	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	C(Si[6]P[5,6]P[6,6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	110.2380	0.215	2	110.2380	0.046	2	110.4925	0.949	16	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	C(Si[6]P[6,6]O[6]C)(CH3)2(H)	C(CSi[6]CH)(H)3	C(CSi[6]CH)(H)3	110.4395	0.870	4	110.4395	0.757	4	110.4925	0.949	16	110.6342	2.033	16253	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(Br)(H)2	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(Br)(H)2	C(CClCC)(OC)(H)2	114.0250	0.151	2	114.0250	0.023	2	113.8627	0.091	3	113.8627	0.091	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(Br)(H)2	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(Br)(H)2	C(CClCC)(OH)(H)2	113.5380	0.000	1	113.5380	0.000	1	113.8627	0.091	3	113.8627	0.091	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(OC)(H)2	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(OC)(H)2	C(CClCC)(H)3	112.3190	0.000	1	112.3190	0.000	1	110.9280	1.527	3	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(OH)(H)2	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(OH)(H)2	C(CClCC)(H)3	110.2325	0.388	2	110.2325	0.151	2	110.9280	1.527	3	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(CC)(H)2	C(CCCH)(H)3	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCCH)(CC)(H)2	C(CCCH)(H)3	110.3980	0.441	2	110.3980	0.195	2	110.3980	0.195	2	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(NS)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CHHN)(CH3)(H)	C(CCCH)(NS)(H)2	C(CCCH)(H)3	110.3360	0.175	2	110.3360	0.031	2	111.3727	2.825	12	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NC)(H)2	C(CCCH)(H)3	111.4086	1.877	8	111.4086	3.522	8	111.3727	2.825	12	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NS)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NS)(H)2	C(CCCH)(H)3	112.2655	1.624	2	112.2655	2.638	2	111.3727	2.825	12	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	108.8240	0.000	1	108.8240	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	109.5267	1.560	9	109.5267	2.432	9	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	110.3166	1.202	5	110.3166	1.445	5	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OS)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(OS)(H)2	C(CCCH)(H)3	109.2500	0.000	1	109.2500	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	110.1160	1.893	6	110.1160	3.585	6	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	110.1487	1.387	7	110.1487	1.925	7	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OSi)(H)2	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OSi)(H)2	C(CCCH)(H)3	111.7880	0.000	1	111.7880	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CC[5]HO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	109.3260	0.000	1	109.3260	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CC[5a]HH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	110.5610	0.000	1	110.5610	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CC[6]HO)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	105.4940	0.000	1	105.4940	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	111.4203	2.662	30	111.4203	7.084	30	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(CCCH)(OFe)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(CCCH)(OFe)(H)2	C(CCCH)(H)3	110.7265	0.390	2	110.7265	0.152	2	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	112.3216	5.494	14	112.3216	30.184	14	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(H)	C(CCCH)(OP)(H)2	C(CCCH)(H)3	C(CHHO)(CH3)2(H)	C(CCCH)(OP)(H)2	C(CCCH)(H)3	110.4942	2.076	20	110.4942	4.309	20	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	C(CN[5]CH)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)(H)3	109.4610	0.000	1	109.4610	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	C(CSnCH)(CHHO)(CH3)(H)	C(CCCH)(OC)(H)2	C(CCCH)(H)3	109.6930	0.000	1	109.6930	0.000	1	110.7911	8.426	101	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(CH3)(NH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	C(CHHO)(NCHH)(CH3)(H)	C(CCHN)(OH)(H)2	C(CCHN)(H)3	111.6935	1.227	6	111.6935	1.506	6	111.6935	1.506	6	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(OH)(H)2	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CHHO)(CH3)(H)	C(CC[3]CH)(OH)(H)2	C(CC[3]CH)(H)3	109.5280	0.000	1	109.5280	0.000	1	109.0785	0.404	2	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(OSi)(H)2	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C(CC[3]CH)(OSi)(H)2	C(CC[3]CH)(H)3	108.6290	0.000	1	108.6290	0.000	1	109.0785	0.404	2	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(H)3	109.3320	0.345	2	109.3320	0.119	2	109.8008	0.485	9	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OS)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OS)(H)2	C(CC[5]CH)(H)3	109.9920	0.000	1	109.9920	0.000	1	109.8008	0.485	9	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C(CC[5]CH)(OH)(H)2	C(CC[5]CH)(H)3	110.0786	0.788	5	110.0786	0.621	5	109.8008	0.485	9	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(H)3	109.1580	0.000	1	109.1580	0.000	1	109.8008	0.485	9	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(OC[6])(H)2	C(CC[6]CH)(F)3	C(C[6]C[6,6]C[6]N)(CHHO)(CF3)(H)	C(CC[6]CH)(OC[6])(H)2	C(CC[6]CH)(F)3	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	109.2340	0.052	2	109.2340	0.003	2	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	111.4550	0.000	1	111.4550	0.000	1	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	C(CC[6]CH)(H)3	109.4407	1.523	7	109.4407	2.320	7	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	110.1942	0.859	4	110.1942	0.737	4	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OS)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(H)	C(CC[6]CH)(OS)(H)2	C(CC[6]CH)(H)3	107.3255	0.600	2	107.3255	0.360	2	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OC)(H)2	C(CC[6]CH)(H)3	111.2650	0.224	3	111.2650	0.050	3	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)(H)	C(CC[6]CH)(OH)(H)2	C(CC[6]CH)(H)3	110.3850	0.913	6	110.3850	0.834	6	109.9016	1.923	25	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(OIr)(H)2	C(CCHN)(H)3	C(NIr2C)(CHHO)(CH3)(H)	C(CCHN)(OIr)(H)2	C(CCHN)(H)3	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	110.6689	6.057	163	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	C(CCCH)(OH)(H)2	109.4210	0.234	4	109.4210	0.055	4	109.4210	0.055	4	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	111.3130	0.000	1	111.3130	0.000	1	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	109.4335	0.595	2	109.4335	0.354	2	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	109.8890	0.000	1	109.8890	0.000	1	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CHHO)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(OH)(H)2	110.7160	0.000	1	110.7160	0.000	1	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(H)	C(CCCH)(ON)(H)2	C(CCCH)(ON)(H)2	C(CHHO)3(H)	C(CCCH)(ON)(H)2	C(CCCH)(ON)(H)2	110.8187	3.040	3	110.8187	9.244	3	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CSnHH)(CHHO)2(H)	C(CCCH)(OC)(H)2	C(CCCH)(OC)(H)2	C(CSnHH)(CHHO)2(H)	C(CCCH)(OC)(H)2	C(CCCH)(OC)(H)2	111.5305	0.098	2	111.5305	0.010	2	110.6302	2.718	10	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)2(H)	C(CCCH)(SC)(H)2	C(CCCH)(SC)(H)2	C(CHHN)(CHHS)2(H)	C(CCCH)(SC)(H)2	C(CCCH)(SC)(H)2	107.3030	0.977	2	107.3030	0.955	2	107.3030	0.955	2	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	C(CHHO)2(NCCH)(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	112.1410	0.905	3	112.1410	0.819	3	112.1410	0.819	3	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(H)	C(CC[5]CH)(OC)(H)2	C(CC[5]CH)(OH)(H)2	109.8725	0.177	2	109.8725	0.032	2	109.8725	0.032	2	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:2:1:1:	N-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	C(NC[6]HH)(CHHO)2(H)	C(CCHN)(OH)(H)2	C(CCHN)(OH)(H)2	114.0180	0.000	1	114.0180	0.000	1	114.0180	0.000	1	110.3990	3.502	22	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OC)(H)2	C(CCCH)2(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CCCH)(OC)(H)2	C(CCCH)2(H)2	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)2(OH)(H)	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(OH)(H)2	C(CCCH)2(OH)(H)	110.7842	3.082	5	110.7842	9.496	5	110.7842	9.496	5	110.7842	9.496	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-2:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CC)(NS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CC)(NS)(H)	C(CCCH)(H)3	111.3480	2.253	2	111.3480	5.075	2	111.3480	5.075	2	110.7484	1.290	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CC)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CC)(OH)(H)	C(CCCH)(H)3	110.4205	0.375	2	110.4205	0.141	2	110.4205	0.141	2	110.7484	1.290	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CHOO)(CH3)2(H)	C(CCCH)(OC)2(H)	C(CCCH)(H)3	C(CHOO)(CH3)2(H)	C(CCCH)(OC)2(H)	C(CCCH)(H)3	110.9488	1.041	6	110.9488	1.084	6	110.9488	1.084	6	110.7484	1.290	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(OC)2(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C(CC[5]CH)(OC)2(H)	C(CC[5]CH)(H)3	109.8755	0.926	2	109.8755	0.857	2	109.8755	0.857	2	110.7484	1.290	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:4:1:	2:4:4:1:	C-4:C-4:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	O-2:C-4:C-4:H-1:	C(CC[5]HO)(CCHO)(CH3)(H)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(OC[6])(CCCH)2(H)	C(CC[5]HO)(CCHO)(CH3)(H)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(OC[6])(CCCH)2(H)	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHO)(CH3)(H)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CCHO)(CH3)(H)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C(CCCH)(H)3	113.3430	0.000	1	113.3430	0.000	1	113.3430	0.000	1	113.1837	0.049	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:S-2:Si-4:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	C(CC[3]CH)(SC[6a])(SiC3)(H)	C(CC[3]CH)(H)3	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	113.1837	0.049	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:2:4:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:Se-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(CCHS)(H)3	C(SC[6a]OO)(CSeCH)(CH3)(H)	C(CC[6a]HO)(SeC[6a])(CCHS)(H)	C(CCHS)(H)3	112.9320	0.000	1	112.9320	0.000	1	112.9320	0.000	1	113.1837	0.049	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-3:C-4:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CC[5]O)(CCCH)(H)2	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CC[5]O)(CCCH)(H)2	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(CBrCC)(NCS)(H)2	C(CBrCC)(H)3	C(CC[6a]HO)(CHHN)(CH3)(Br)	C(CBrCC)(NCS)(H)2	C(CBrCC)(H)3	113.4405	0.006	2	113.4405	0.000	2	113.4405	0.000	2	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CCCH)(H)3	112.6650	0.000	1	112.6650	0.000	1	111.1035	4.877	2	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)2(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CCCH)(H)3	C(CBrCH)2(CH3)(H)	C(CCCH)(CCO)(Br)(H)	C(CCCH)(H)3	109.5420	0.000	1	109.5420	0.000	1	111.1035	4.877	2	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(Cl)3	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(Cl)3	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)2(CF3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(F)3	C(CCHH)2(CF3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(F)3	109.5325	0.081	2	109.5325	0.007	2	109.5325	0.007	2	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:H-1:H-1:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	C(CCCH)(F)(H)2	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	C(CCCH)(F)(H)2	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CBrCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	108.3050	0.000	1	108.3050	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	110.7570	0.000	1	110.7570	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	110.9023	0.467	3	110.9023	0.218	3	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	110.4870	0.071	2	110.4870	0.005	2	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	111.4915	0.243	2	111.4915	0.059	2	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	112.4490	0.000	1	112.4490	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHO)(H)2	C(CCCH)(H)3	112.8560	0.000	1	112.8560	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	111.8125	0.309	4	111.8125	0.095	4	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	111.5390	0.000	1	111.5390	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	110.2120	0.000	1	110.2120	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	C(CCCH)(H)3	C(CCHH)(CFHH)(CH3)(H)	C(CCCH)(CClC)(H)2	C(CCCH)(H)3	108.9220	0.000	1	108.9220	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	110.6465	0.764	4	110.6465	0.584	4	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCN)(H)2	C(CCCH)(H)3	111.9800	1.964	4	111.9800	3.859	4	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	110.9259	1.563	8	110.9259	2.444	8	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHN)(H)2	C(CCCH)(H)3	110.7450	1.298	2	110.7450	1.685	2	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHO)(H)2	C(CCCH)(H)3	112.1234	21.491	2	112.1234	461.873	2	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	110.6442	1.450	12	110.6442	2.104	12	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	109.6211	2.236	8	109.6211	5.001	8	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	111.5030	0.000	1	111.5030	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(H)3	111.5951	1.438	8	111.5951	2.067	8	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(H)3	110.3128	1.314	5	110.3128	1.727	5	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	109.6454	0.701	8	109.6454	0.492	8	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	110.2093	1.704	6	110.2093	2.902	6	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	111.3767	0.354	3	111.3767	0.125	3	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CC[6]CH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	110.3660	0.000	1	110.3660	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(H)3	109.2530	1.327	2	109.2530	1.760	2	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(H)3	109.9260	0.000	1	109.9260	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)(H)3	110.4620	0.000	1	110.4620	0.000	1	110.6908	7.130	94	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(F)3	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(F)3	111.5345	0.400	2	111.5345	0.160	2	111.5345	0.160	2	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	107.6080	0.000	1	107.6080	0.000	1	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	109.8812	4.143	5	109.8812	17.165	5	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCS)(H)2	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(NCS)(H)2	C(CCCH)(H)3	108.0440	0.000	1	108.0440	0.000	1	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	C(CC[6a]HN)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	111.3630	0.000	1	111.3630	0.000	1	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	C(CC[6a]HO)(CHHN)(CH3)(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	111.2290	0.000	1	111.2290	0.000	1	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NAlC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NAlC)(H)2	C(CCCH)(H)3	110.7834	2.058	10	110.7834	4.234	10	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCC)(H)2	C(CCCH)(H)3	110.5216	2.404	99	110.5216	5.781	99	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCH)(H)2	C(CCCH)(H)3	110.9158	1.994	30	110.9158	3.977	30	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCN)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCN)(H)2	C(CCCH)(H)3	110.2883	1.530	12	110.2883	2.339	12	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCP)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCP)(H)2	C(CCCH)(H)3	110.6561	2.592	71	110.6561	6.719	71	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCS)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCS)(H)2	C(CCCH)(H)3	110.5763	1.688	8	110.5763	2.849	8	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCuC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCuC)(H)2	C(CCCH)(H)3	110.8107	1.174	4	110.8107	1.377	4	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NHS)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NHS)(H)2	C(CCCH)(H)3	110.7746	1.857	14	110.7746	3.448	14	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NPS)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NPS)(H)2	C(CCCH)(H)3	110.4600	4.083	2	110.4600	16.670	2	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NPdC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NPdC)(H)2	C(CCCH)(H)3	110.0430	2.399	8	110.0430	5.753	8	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NPtC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NPtC)(H)2	C(CCCH)(H)3	110.6665	2.878	10	110.6665	8.282	10	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NSnC)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NSnC)(H)2	C(CCCH)(H)3	111.0232	2.835	4	111.0232	8.040	4	110.5884	5.491	281	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(H)	C(CCCH)(SPdC)(H)2	C(CCCH)(H)3	C(CHHS)(CH3)2(H)	C(CCCH)(SPdC)(H)2	C(CCCH)(H)3	110.2449	2.756	12	110.2449	7.594	12	110.2449	7.594	12	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NHH)(H)2	C(CCHN)(H)3	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(H)3	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCH)(H)2	C(CCHN)(H)3	111.9862	0.806	6	111.9862	0.649	6	111.9862	0.649	6	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	C(CC[5,5,6]CH)(H)3	110.4083	0.875	3	110.4083	0.766	3	109.8625	0.796	6	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C(CC[5,5,6]CH)(CCO)(H)2	C(CC[5,5,6]CH)(H)3	109.3167	0.574	3	109.3167	0.330	3	109.8625	0.796	6	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCO)(H)2	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCO)(H)2	C(CC[5,5]CH)(H)3	110.1315	0.340	2	110.1315	0.116	2	110.4030	0.279	3	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCH)(H)2	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCH)(H)2	C(CC[5,5]CH)(H)3	110.9460	0.000	1	110.9460	0.000	1	110.4030	0.279	3	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(F)3	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(F)3	108.9150	0.000	1	108.9150	0.000	1	109.4951	0.567	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	C(CC[5]CH)(F)3	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	C(CC[5]CH)(F)3	109.3120	0.000	1	109.3120	0.000	1	109.4951	0.567	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(F)3	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(F)3	109.2340	0.115	2	109.2340	0.013	2	109.4951	0.567	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CNO)(H)2	C(CC[5]CH)(F)3	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C(CC[5]CH)(CNO)(H)2	C(CC[5]CH)(F)3	109.7093	0.928	6	109.7093	0.861	6	109.4951	0.567	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	109.4543	0.650	3	109.4543	0.422	3	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(H)3	112.2210	0.000	1	112.2210	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCO)(H)2	C(CC[5]CH)(H)3	109.7150	1.737	3	109.7150	3.017	3	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(H)3	109.5700	1.091	3	109.5700	1.190	3	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5a]O)(H)2	C(CC[5]CH)(H)3	109.9570	0.000	1	109.9570	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	C(CC[5]CH)(H)3	109.4470	0.000	1	109.4470	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(H)3	107.7580	0.000	1	107.7580	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]O)(H)2	C(CC[5]CH)(H)3	110.2830	0.000	1	110.2830	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(H)3	109.9580	0.000	1	109.9580	0.000	1	109.7228	1.439	15	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	C(CC[6]CH)(H)3	108.5810	1.158	2	108.5810	1.342	2	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	110.4730	0.000	1	110.4730	0.000	1	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCO)(H)2	C(CC[6]CH)(H)3	110.1785	0.979	2	110.1785	0.959	2	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CC[5a]O)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CC[5a]O)(H)2	C(CC[6]CH)(H)3	110.5820	0.000	1	110.5820	0.000	1	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	112.6840	0.000	1	112.6840	0.000	1	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CNO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CNO)(H)2	C(CC[6]CH)(H)3	111.3750	0.000	1	111.3750	0.000	1	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(COO)(H)2	C(CC[6]CH)(H)3	111.9815	0.141	2	111.9815	0.020	2	110.6596	2.174	10	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(OFe2)(H)2	C(CCHN)(H)3	C(NFeCC)(CHHO)(CH3)(H)	C(CCHN)(OFe2)(H)2	C(CCHN)(H)3	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	C(CN[6]CH)(H)3	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	C(CN[6]CH)(H)3	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	C(CCHP)(H)3	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	C(CCHP)(H)3	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.5927	5.385	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(OH)(H)2	111.2950	0.000	1	111.2950	0.000	1	111.0110	0.629	3	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(OH)(H)2	110.1150	0.000	1	110.1150	0.000	1	111.0110	0.629	3	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]HN)(CCHH)(CHHO)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(OH)(H)2	111.6230	0.000	1	111.6230	0.000	1	111.0110	0.629	3	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(OH)(H)2	112.2340	0.000	1	112.2340	0.000	1	112.2405	0.000	2	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(OC)(H)2	112.2470	0.000	1	112.2470	0.000	1	112.2405	0.000	2	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OH)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OH)(H)2	109.8170	0.000	1	109.8170	0.000	1	111.2190	1.012	4	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OC)(H)2	111.6350	0.632	2	111.6350	0.400	2	111.2190	1.012	4	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCH)(H)2	C(CC[5]CH)(OH)(H)2	111.7890	0.000	1	111.7890	0.000	1	111.2190	1.012	4	111.3767	0.786	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(CNO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(CNO)(H)2	110.2280	1.926	4	110.2280	3.708	4	110.3832	2.902	5	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(CCO)(H)2	111.0040	0.000	1	111.0040	0.000	1	110.3832	2.902	5	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	C(CCCH)(NOO)(H)2	110.7011	0.980	10	110.7011	0.961	10	111.0528	0.949	17	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NOO)(H)2	111.6008	0.830	6	111.6008	0.690	6	111.0528	0.949	17	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NCH)(H)2	C(CC[6a]HH)(CCHH)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NCH)(H)2	111.2820	0.000	1	111.2820	0.000	1	111.0528	0.949	17	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	C(CCCH)(NTcC)(H)2	C(CCHH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	C(CCCH)(NTcC)(H)2	111.6010	0.000	1	111.6010	0.000	1	113.1145	4.697	4	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NCuC)(H)2	C(CCCH)(NCuC)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NCuC)(H)2	C(CCCH)(NCuC)(H)2	114.9655	0.398	2	114.9655	0.158	2	113.1145	4.697	4	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	C(CCCH)(NTcC)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(CCCH)(NTcC)(H)2	C(CCCH)(NTcC)(H)2	110.9260	0.000	1	110.9260	0.000	1	113.1145	4.697	4	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(SFe2)(H)2	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(SFe2)(H)2	113.7060	3.316	3	113.7060	10.995	3	113.7060	10.995	3	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCC)(H)2	C(CC[5]CH)(CCO)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CCC)(H)2	C(CC[5]CH)(CCO)(H)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHH)(CHHN)(H)	C(CC[5]CH)(COO)(H)2	C(CC[5]CH)(NOO)(H)2	111.8310	0.000	1	111.8310	0.000	1	111.6490	0.066	2	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C(CC[5]CH)(CC[6a]O)(H)2	C(CC[5]CH)(NOO)(H)2	111.4670	0.000	1	111.4670	0.000	1	111.6490	0.066	2	111.5114	3.151	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(H)2	109.0160	0.000	2	109.0160	0.000	2	111.0162	0.675	26	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(H)2	112.2410	1.638	2	112.2410	2.682	2	111.0162	0.675	26	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(H)2	111.0867	0.382	22	111.0867	0.146	22	111.0162	0.675	26	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)(NH3)(H)2	111.5120	0.893	24	111.5120	0.798	24	111.5120	0.798	24	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(NOO)(H)2	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(NOO)(H)2	C(CCCH)2(H)2	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	C(CCHN)(CH3)(H)2	C(CCHH)2(NH3)(H)	C(CCHN)(CCH)(H)2	C(CCHN)(CH3)(H)2	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	111.2860	0.871	52	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(OSi)(H)	110.9760	0.000	2	110.9760	0.000	2	112.1033	2.463	8	112.1033	2.463	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)2(OC)(H)	113.8040	0.000	1	113.8040	0.000	1	112.1033	2.463	8	112.1033	2.463	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCCH)2(OH)(H)	110.5475	0.564	2	110.5475	0.318	2	112.1033	2.463	8	112.1033	2.463	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(OC)(H)	113.3250	1.042	3	113.3250	1.086	3	112.1033	2.463	8	112.1033	2.463	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(NCO)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(NCO)(H)	114.2290	0.000	1	114.2290	0.000	1	112.1911	1.786	17	111.2059	3.073	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(CNO)(H)2	C(CCCH)2(NCH)(H)	111.6490	0.891	10	111.6490	0.794	10	112.1911	1.786	17	111.2059	3.073	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(COO)(H)2	C(CCCH)2(NCH)(H)	112.7550	1.576	6	112.7550	2.485	6	112.1911	1.786	17	111.2059	3.073	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(NOO)(H)2	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CHHN)(H)	C(CCCH)(NOO)(H)2	C(CCCH)2(NCH)(H)	110.1592	1.543	16	110.1592	2.382	16	110.1592	2.382	16	111.2059	3.073	33	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	111.7770	0.000	1	111.7770	0.000	1	112.5930	0.900	3	111.6626	1.538	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CH3)2(H)	112.3680	0.000	1	112.3680	0.000	1	112.5930	0.900	3	111.6626	1.538	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCH)(H)2	C(CCCH)(CH3)2(H)	113.6340	0.000	1	113.6340	0.000	1	112.5930	0.900	3	111.6626	1.538	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:S-3:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CHHS)2(H)	C(CCCH)(SFe2)(H)2	C(CCCH)(CH3)2(H)	111.4302	1.198	6	111.4302	1.434	6	111.4302	1.434	6	111.6626	1.538	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:N-4:H-1:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NHH)(H)2	C(CCHN)2(NH3)(H)	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	111.6626	1.538	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CH3)3	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CH3)3	112.5710	0.453	2	112.5710	0.205	2	112.5710	0.205	2	112.5497	0.104	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(CH3)3	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CCCH)(NOO)(H)2	C(CCCH)(CH3)3	112.5070	0.000	1	112.5070	0.000	1	112.5070	0.000	1	112.5497	0.104	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(H)3	112.3480	0.000	1	112.3480	0.000	1	111.3800	1.104	17	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NC)(H)	C(CCCH)(H)3	111.6977	1.115	6	111.6977	1.244	6	111.3800	1.104	17	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NS)(H)	C(CCCH)(H)3	110.9245	0.732	4	110.9245	0.536	4	111.3800	1.104	17	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(H)3	111.2047	1.206	6	111.2047	1.455	6	111.3800	1.104	17	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	111.4030	0.000	1	111.4030	0.000	1	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(H)3	112.1177	1.172	3	112.1177	1.375	3	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	111.1205	0.037	2	111.1205	0.001	2	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	110.7615	0.340	4	110.7615	0.116	4	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	111.4590	1.126	4	111.4590	1.269	4	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCN)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCN)(OSi)(H)	C(CCCH)(H)3	111.3715	1.384	2	111.3715	1.915	2	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OC)(H)	C(CCCH)(H)3	111.5103	1.145	10	111.5103	1.312	10	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(OH)(H)	C(CCCH)(H)3	110.8280	0.501	2	110.8280	0.251	2	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(ON)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CNO)(ON)(H)	C(CCCH)(H)3	111.6155	0.719	2	111.6155	0.517	2	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(H)3	110.6900	0.000	1	110.6900	0.000	1	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(H)3	108.6310	0.000	1	108.6310	0.000	1	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(H)3	110.4218	1.758	12	110.4218	3.089	12	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(H)3	110.4618	2.155	5	110.4618	4.643	5	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OSi)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OSi)(H)	C(CCCH)(H)3	111.0630	0.242	2	111.0630	0.058	2	110.9888	1.878	51	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NCN)(CN)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NCN)(CN)(H)	C(CCCH)(H)3	109.9920	1.455	2	109.9920	2.118	2	109.9920	2.118	2	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCC)(OC)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCC)(OC)(H)	C(CC[3]CH)(H)3	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCO)(OC)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCO)(OC)(H)	C(CC[5]CH)(H)3	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.0353	1.712	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCO)(OH)(H)	C(CCCH)(OC)(H)2	112.1070	0.000	1	112.1070	0.000	1	111.3400	1.177	2	111.3400	1.177	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(CCI)(OH)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCHO)(CHHO)(H)	C(CCCH)(CCI)(OH)(H)	C(CCCH)(OH)(H)2	110.5730	0.000	1	110.5730	0.000	1	111.3400	1.177	2	111.3400	1.177	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(CHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(CHO)(H)2	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	111.8030	3.297	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:N-3:H-1:H-1:	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(COO)(NC)(H)	C(CC[5]CH)(NOO)(H)2	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	C(CC[5]CH)(COO)(NC)(H)	C(CC[5]CH)(NOO)(H)2	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	111.8030	3.297	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NC)(H)	C(CCCH)(CH3)(H)2	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	112.4129	3.944	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(OC)(H)	C(CCCH)(CH3)(H)2	110.0290	2.055	2	110.0290	4.222	2	112.6976	3.674	8	112.4129	3.944	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(H)2	112.7210	0.047	2	112.7210	0.002	2	112.6976	3.674	8	112.4129	3.944	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(CCHH)(H)2	114.0093	0.353	3	114.0093	0.125	3	112.6976	3.674	8	112.4129	3.944	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)2(H)2	114.0530	0.000	1	114.0530	0.000	1	112.6976	3.674	8	112.4129	3.944	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)2(OH)(H)	116.3380	0.000	1	116.3380	0.000	1	114.1649	4.076	14	114.1649	4.076	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(OC)(H)	114.1080	2.339	9	114.1080	5.469	9	114.1649	4.076	14	114.1649	4.076	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)2(OH)(H)	113.1897	0.139	3	113.1897	0.019	3	114.1649	4.076	14	114.1649	4.076	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(CH3)(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCH)(OH)(H)	C(CCCH)(CH3)(OH)(H)	115.4290	0.000	1	115.4290	0.000	1	114.1649	4.076	14	114.1649	4.076	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)2(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CH3)2(H)	114.6925	2.814	2	114.6925	7.916	2	114.6925	7.916	2	114.6925	7.916	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(COO)2(H)	C(CCCH)(H)3	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(COO)2(H)	C(CCCH)(H)3	109.6360	0.000	1	109.6360	0.000	1	111.4660	1.135	5	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCH)(CHH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCH)(CHH)(H)	C(CCCH)(H)3	111.8700	0.122	2	111.8700	0.015	2	111.4660	1.135	5	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CCO)(H)	C(CCCH)(H)3	C(CC[5]HO)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CCO)(H)	C(CCCH)(H)3	111.5730	0.000	1	111.5730	0.000	1	111.4660	1.135	5	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CNO)(H)	C(CCCH)(H)3	C(CC[6a]CH)(CCCH)(CH3)(H)	C(CCCH)(CCH)(CNO)(H)	C(CCCH)(H)3	112.3810	0.000	1	112.3810	0.000	1	111.4660	1.135	5	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHN)(CF3)2(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(F)3	C(CCHN)(CF3)2(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(F)3	111.8632	1.333	4	111.8632	1.777	4	111.8632	1.777	4	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	110.7220	0.000	2	110.7220	0.000	2	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	C(CCCH)(H)3	111.4130	0.000	1	111.4130	0.000	1	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(H)3	108.3950	0.000	1	108.3950	0.000	1	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	110.8752	1.831	23	110.8752	3.354	23	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(H)3	111.6743	1.002	4	111.6743	1.004	4	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(H)3	111.9085	3.935	2	111.9085	15.485	2	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	111.2947	1.202	31	111.2947	1.445	31	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	111.3000	0.000	1	111.3000	0.000	1	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCC)(H)	C(CCCH)(H)3	110.0380	0.576	2	110.0380	0.331	2	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(H)3	112.2410	1.083	4	112.2410	1.174	4	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCH)(NCO)(H)	C(CCCH)(H)3	111.4240	1.133	2	111.4240	1.283	2	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(H)3	110.1866	1.753	18	110.1866	3.073	18	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(H)3	111.0533	1.585	164	111.0533	2.514	164	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NCS)(H)	C(CCCH)(H)3	110.2590	0.811	4	110.2590	0.658	4	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(H)3	111.2064	0.514	12	111.2064	0.264	12	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(H)3	109.7741	3.704	8	109.7741	13.719	8	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(H)3	110.0188	0.747	12	110.0188	0.559	12	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	111.2189	1.781	202	111.2189	3.171	202	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NCS)(H)	C(CCCH)(H)3	110.4400	0.017	2	110.4400	0.000	2	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	111.1330	1.162	16	111.1330	1.350	16	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(H)3	111.9410	0.000	1	111.9410	0.000	1	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(H)3	110.3910	0.000	1	110.3910	0.000	1	111.0581	2.809	513	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(H)3	112.2090	0.000	1	112.2090	0.000	1	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(H)3	111.1510	0.000	1	111.1510	0.000	1	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(H)3	113.1662	0.304	4	113.1662	0.092	4	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NNiC)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NNiC)(COO)(H)	C(CCCH)(H)3	111.7496	1.036	8	111.7496	1.074	8	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NNiH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NNiH)(COO)(H)	C(CCCH)(H)3	111.9355	1.856	2	111.9355	3.445	2	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(H)3	112.1271	0.732	10	112.1271	0.536	10	112.1217	0.902	26	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(CC[6a]O)2(H)	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCCH)(CH3)(H)	C(CC[5]CH)(CC[6a]O)2(H)	C(CC[5]CH)(H)3	109.8370	0.423	2	109.8370	0.179	2	109.8370	0.179	2	111.1135	2.741	550	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(OC)(H)2	108.6940	0.120	2	108.6940	0.014	2	108.6940	0.014	2	108.6940	0.014	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(COO)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(COO)(H)2	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCH)(NCH)(H)	C(CCCH)(CH3)(H)2	113.0890	0.000	2	113.0890	0.000	2	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCO)(NCH)(H)	C(CCCH)(CH3)(H)2	108.4020	0.000	1	108.4020	0.000	1	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCC)(H)	C(CCCH)(CH3)(H)2	110.9620	0.000	1	110.9620	0.000	1	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(CH3)(H)2	111.1721	1.452	23	111.1721	2.109	23	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHH)(H)	C(CCCH)(CH3)(H)2	110.9835	1.071	4	110.9835	1.147	4	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CNO)(NHS)(H)	C(CCCH)(CH3)(H)2	112.5675	1.034	2	112.5675	1.070	2	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NCH)(H)	C(CCCH)(CH3)(H)2	111.5928	1.195	30	111.5928	1.428	30	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(COO)(NHS)(H)	C(CCCH)(CH3)(H)2	110.6330	0.000	1	110.6330	0.000	1	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(COO)(NCC)(H)	C(CCCH)(CH3)(H)2	113.1235	0.115	2	113.1235	0.013	2	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(CH3)(H)2	111.7730	0.000	1	111.7730	0.000	1	111.4628	1.808	67	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:N-3:H-1:	C-4:Si-4:H-1:H-1:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(SiC3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(CNO)(NCH)(H)	C(CCCH)(SiC3)(H)2	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCuC)(COO)(H)	C(CCCH)(CH3)(H)2	111.4930	0.000	1	111.4930	0.000	1	111.8800	0.300	2	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-3:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NSnC)(COO)(H)	C(CCCH)(CH3)(H)2	112.2670	0.000	1	112.2670	0.000	1	111.8800	0.300	2	111.4531	1.772	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:C-2:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(H)	C(CCCH)(CCC)(COO)(CN)	C(CCCH)(H)3	C(CC3)(CH3)2(H)	C(CCCH)(CCC)(COO)(CN)	C(CCCH)(H)3	111.5295	0.403	4	111.5295	0.162	4	111.5295	0.162	4	111.5295	0.162	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:1:	3:4:4:1:	C-4:C-4:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C-3:C-4:C-4:H-1:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CC[6]N)(CCCH)(CH3)(H)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CC[6]N)(CCCH)(CH3)(H)	111.8940	0.000	2	111.8940	0.000	2	111.8940	0.000	2	111.8940	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Pd)(CCCH)(H)	C(CCCH)(H)3	111.9360	2.702	16	111.9360	7.302	16	111.9077	6.699	20	111.9550	5.700	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:S-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	C(CN[5]HH)(SC[6]Rh)(CCCH)(H)	C(CCCH)(H)3	111.7945	2.428	4	111.7945	5.895	4	111.9077	6.699	20	111.9550	5.700	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]C[5]H)(CH3)2(H)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C(CCCH)(H)3	C(CN[5a]C[5]H)(CH3)2(H)	C(C[5]C[5]2Fe)(N[5a]C[5a]2)(CCCH)(H)	C(CCCH)(H)3	112.7485	1.518	2	112.7485	2.305	2	112.7485	2.305	2	111.9550	5.700	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CCCH)(H)3	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	C(CCCH)(H)3	111.6340	0.000	2	111.6340	0.000	2	111.6340	0.000	2	111.9550	5.700	24	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]O)(CH3)2(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C(CCCH)(H)3	C(CC[6a]C[5]O)(CH3)2(H)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CCCH)(OH)	C(CCCH)(H)3	112.6158	1.571	4	112.6158	2.469	4	112.6158	2.469	4	112.6158	2.469	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	C(CCCH)(H)3	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	C(CCCH)(H)3	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	113.8710	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:3:4:4:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:O-3:C-4:C-4:	N-4:C-4:H-1:H-1:	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	C(NZnCC)(CCCH)(H)2	C(CCCO)(CHHN)(CH3)(H)	C(CCCH)(OZn2)(CH3)2	C(NZnCC)(CCCH)(H)2	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	C(CC[6a]O)(CCCH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	C(CC[6a]O)(CCCH)(H)2	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	3:4:3:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-3:C-4:N-3:H-1:	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CN[5]O)(CCCH)(NHO)(H)	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CN[5]O)(CCCH)(NHO)(H)	112.1073	0.812	3	112.1073	0.660	3	112.1073	0.660	3	112.1073	0.660	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	As-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CAsCH)(H)2	C(CAsCH)(H)3	C(AsC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CAsCH)(H)2	C(CAsCH)(H)3	112.2380	0.355	2	112.2380	0.126	2	112.2380	0.126	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(N[6]C[6]2H)(CBCH)(H)2	C(CBCH)(H)3	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	C(N[6]C[6]2H)(CBCH)(H)2	C(CBCH)(H)3	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CHHO)(Cl)(H)	C(CBrCC)(H)3	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CHHO)(Cl)(H)	C(CBrCC)(H)3	112.0330	0.000	1	112.0330	0.000	1	112.4940	0.425	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CCHH)(Cl)(H)	C(CBrCC)(H)3	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CCHH)(Cl)(H)	C(CBrCC)(H)3	112.9550	0.000	1	112.9550	0.000	1	112.4940	0.425	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(Br)	C(CBrCC)(CCHO)(H)2	C(CBrCC)(H)3	C(CCHH)(CH3)2(Br)	C(CBrCC)(CCHO)(H)2	C(CBrCC)(H)3	112.1085	3.590	4	112.1085	12.890	4	111.6754	10.605	5	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CCHH)(H)2	C(CBrCC)(H)3	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CCHH)(H)2	C(CBrCC)(H)3	109.9430	0.000	1	109.9430	0.000	1	111.6754	10.605	5	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(H)3	115.1665	0.974	2	115.1665	0.948	2	114.9243	0.650	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CClHH)(Br)(H)	C(CClCC)(H)3	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CClHH)(Br)(H)	C(CClCC)(H)3	114.4400	0.000	1	114.4400	0.000	1	114.9243	0.650	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CC[6a]HH)(CClCC)(H)2	C(CClCC)(Br)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CC[6a]HH)(CClCC)(H)2	C(CClCC)(Br)(H)2	114.8650	0.321	2	114.8650	0.103	2	115.1303	0.263	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(Br)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(Br)(H)2	115.6610	0.000	1	115.6610	0.000	1	115.1303	0.263	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(H)3	C(CCHH)(CH3)2(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(H)3	112.2785	1.668	4	112.2785	2.783	4	112.3002	3.188	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(Cl)	C(CClCC)(CCHO)(H)2	C(CClCC)(H)3	C(CCHH)(CH3)2(Cl)	C(CClCC)(CCHO)(H)2	C(CClCC)(H)3	112.5175	3.771	2	112.5175	14.220	2	112.3002	3.188	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(CClCC)(CHHO)(H)2	C(CClCC)(H)3	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(CClCC)(CHHO)(H)2	C(CClCC)(H)3	112.8635	0.180	2	112.8635	0.033	2	112.3002	3.188	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(H)3	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(H)3	110.8260	0.000	1	110.8260	0.000	1	112.3002	3.188	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CClCC)(H)3	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CClCC)(H)3	114.7825	0.194	2	114.7825	0.038	2	114.7825	0.038	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CCHH)(CF3)(F)	C(CCCF)(CF3)(F)2	C(CCCF)(F)3	C(CCFF)(CCHH)(CF3)(F)	C(CCCF)(CF3)(F)2	C(CCCF)(F)3	109.9600	0.000	1	109.9600	0.000	1	112.7389	5.167	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CF3)2(F)	C(CCCF)(CCFF)(F)2	C(CCCF)(F)3	C(CCFF)(CF3)2(F)	C(CCCF)(CCFF)(F)2	C(CCCF)(F)3	113.0863	2.160	8	113.0863	4.664	8	112.7389	5.167	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCFF)(CCHH)(CF3)(F)	C(CRhHH)(CCCF)(H)2	C(CCCF)(F)3	C(CCFF)(CCHH)(CF3)(F)	C(CRhHH)(CCCF)(H)2	C(CCCF)(F)3	110.9210	0.000	1	110.9210	0.000	1	112.8880	3.100	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(F)	C(CIrHH)(CCCF)(H)2	C(CCCF)(F)3	C(CCHH)(CF3)2(F)	C(CIrHH)(CCCF)(H)2	C(CCCF)(F)3	113.8715	0.630	2	113.8715	0.397	2	112.8880	3.100	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)2(F)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(CCCF)(F)3	C(CC[5]HH)(CF3)2(F)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C(CCCF)(F)3	111.7050	0.185	2	111.7050	0.034	2	111.7050	0.034	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	B[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CB[4]HH)(CH3)2(H)	C(B[4]P[4]2O)(CCCH)(H)2	C(CCCH)(H)3	C(CB[4]HH)(CH3)2(H)	C(B[4]P[4]2O)(CCCH)(H)2	C(CCCH)(H)3	112.4435	3.986	2	112.4435	15.888	2	112.4435	15.888	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:H-1:H-1:H-1:	C(CCl2C)(CH3)2(H)	C(CCCH)(CCHO)(Cl)2	C(CCCH)(H)3	C(CCl2C)(CH3)2(H)	C(CCCH)(CCHO)(Cl)2	C(CCCH)(H)3	112.1605	0.639	2	112.1605	0.408	2	112.1605	0.408	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	C(CCCH)(H)3	C(CClCH)(CH3)2(H)	C(CCCH)(CCHN)(Cl)(H)	C(CCCH)(H)3	110.7405	0.542	4	110.7405	0.294	4	110.7405	0.294	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CNiCH)(CCFF)(CH3)(H)	C(CNiFF)(CCCH)(F)2	C(CCCH)(H)3	C(CNiCH)(CCFF)(CH3)(H)	C(CNiFF)(CCCH)(F)2	C(CCCH)(H)3	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:Br-1:Br-1:Br-1:	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(Br)3	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(Br)3	110.2940	0.195	2	110.2940	0.038	2	110.2940	0.038	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(Cl)3	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(Cl)3	111.1670	0.000	1	111.1670	0.000	1	110.4988	0.229	5	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(Cl)3	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(Cl)3	110.3317	0.346	4	110.3317	0.120	4	110.4988	0.229	5	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	108.3060	0.000	1	108.3060	0.000	1	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(F)3	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(F)3	111.8190	0.000	1	111.8190	0.000	1	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(F)3	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(F)3	109.8150	0.000	1	109.8150	0.000	1	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(F)3	110.8260	0.000	1	110.8260	0.000	1	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(F)3	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(F)3	111.9395	0.271	2	111.9395	0.073	2	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(F)3	C(CC[5]HN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(F)3	111.8820	0.000	1	111.8820	0.000	1	110.9324	1.991	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.1640	1.052	2	111.1640	1.107	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.3700	0.071	2	110.3700	0.005	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.7855	0.084	2	110.7855	0.007	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	113.3960	0.000	1	113.3960	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.7283	0.971	123	111.7283	0.943	123	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	110.0176	1.378	29	110.0176	1.899	29	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	110.1405	0.155	2	110.1405	0.024	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	112.0434	1.571	7	112.0434	2.467	7	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	109.7750	0.058	2	109.7750	0.003	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	111.0493	1.124	10	111.0493	1.263	10	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	110.6770	1.731	2	110.6770	2.996	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	109.0360	0.000	1	109.0360	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	C(CCHH)(CCl3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	111.2850	0.000	1	111.2850	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	C(CCHH)(CF3)(CH3)(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	112.4930	0.000	1	112.4930	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	111.0927	3.701	4	111.0927	13.699	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCCN)(H)2	C(CCCH)(H)3	111.4542	1.945	6	111.4542	3.783	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	111.1130	3.200	2	111.1130	10.242	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.4990	1.993	255	111.4990	3.974	255	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCHN)(H)2	C(CCCH)(H)3	110.8981	1.777	877	110.8981	3.159	877	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	111.4299	2.016	8	111.4299	4.065	8	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCOO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCOO)(H)2	C(CCCH)(H)3	111.6325	0.868	2	111.6325	0.753	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CCOP)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CCOP)(H)2	C(CCCH)(H)3	110.7368	0.923	4	110.7368	0.851	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	110.8014	1.771	14	110.8014	3.137	14	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	111.6526	3.254	27	111.6526	10.586	27	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHHP)(H)2	C(CCCH)(H)3	111.3342	1.561	4	111.3342	2.436	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(H)3	111.2430	1.397	4	111.2430	1.952	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHNN)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHNN)(H)2	C(CCCH)(H)3	111.1080	1.820	2	111.1080	3.313	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHNP)(H)2	C(CCCH)(H)3	110.6440	1.697	4	110.6440	2.879	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)(CHOP)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)(CHOP)(H)2	C(CCCH)(H)3	111.3330	2.268	2	111.3330	5.146	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CCCH)2(H)2	C(CCCH)(H)3	111.0918	1.433	57	111.0918	2.054	57	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[5]BrH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[5]BrH)(CCCH)(H)2	C(CCCH)(H)3	111.0485	2.278	2	111.0485	5.187	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[5]HN)(CCCH)(H)2	C(CCCH)(H)3	111.2110	1.359	4	111.2110	1.848	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[5a]HN)(CCCH)(H)2	C(CCCH)(H)3	110.5020	0.438	2	110.5020	0.192	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6]2H)(CCCH)(H)2	C(CCCH)(H)3	111.0420	1.492	8	111.0420	2.225	8	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	115.4750	3.680	2	115.4750	13.541	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(H)3	111.1475	1.829	12	111.1475	3.346	12	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]2C)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]2C)(CCCH)(H)2	C(CCCH)(H)3	111.3670	3.589	2	111.3670	12.883	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(CCCH)(H)3	111.0725	1.025	4	111.0725	1.051	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(CCCH)(H)2	C(CCCH)(H)3	110.5912	1.561	6	110.5912	2.437	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(H)3	111.6600	6.071	2	111.6600	36.860	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(H)2	C(CCCH)(H)3	110.7980	1.307	2	110.7980	1.708	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CFeCC)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CFeCC)(CCCH)(H)2	C(CCCH)(H)3	110.8930	0.068	2	110.8930	0.005	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CGeHH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CGeHH)(CCCH)(H)2	C(CCCH)(H)3	109.5075	1.119	2	109.5075	1.253	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[5]CH)(CCCH)(H)2	C(CCCH)(H)3	110.8605	1.500	10	110.8605	2.250	10	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[5]HH)(CCCH)(H)2	C(CCCH)(H)3	112.5823	2.766	6	112.5823	7.652	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[5a]CH)(CCCH)(H)2	C(CCCH)(H)3	110.4652	2.477	6	110.4652	6.137	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(CCCH)(H)3	110.9018	1.609	4	110.9018	2.589	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[6]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[6]CH)(CCCH)(H)2	C(CCCH)(H)3	111.3535	2.347	2	111.3535	5.508	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CN[6]HH)(CCCH)(H)2	C(CCCH)(H)3	108.3642	4.237	12	108.3642	17.948	12	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(H)	C(CP[5]HO)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CH3)2(H)	C(CP[5]HO)(CCCH)(H)2	C(CCCH)(H)3	111.1085	2.764	2	111.1085	7.640	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	108.9007	3.076	4	108.9007	9.461	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	110.8300	0.000	1	110.8300	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	114.6400	0.000	1	114.6400	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	112.7883	0.457	8	112.7883	0.209	8	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	112.0208	2.057	6	112.0208	4.232	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	112.1060	0.000	1	112.1060	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(H)3	109.1810	0.000	1	109.1810	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(H)3	113.0430	0.000	1	113.0430	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	111.0892	0.989	5	111.0892	0.978	5	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(H)3	112.5205	3.050	2	112.5205	9.301	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(H)3	110.6760	0.645	2	110.6760	0.416	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.5821	0.692	17	111.5821	0.478	17	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	111.4885	0.793	4	111.4885	0.629	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	109.4186	3.543	5	109.4186	12.552	5	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(H)3	110.6215	0.740	2	110.6215	0.548	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	111.0470	0.000	1	111.0470	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(H)3	111.3140	0.000	1	111.3140	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CCCH)2(H)2	C(CCCH)(H)3	111.3090	0.586	8	111.3090	0.343	8	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(H)3	109.5790	0.000	1	109.5790	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	110.3590	1.124	2	110.3590	1.264	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(H)3	110.3640	0.091	2	110.3640	0.008	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CCCH)(H)3	110.6397	0.309	3	110.6397	0.095	3	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(H)3	110.3463	0.603	3	110.3463	0.363	3	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(H)3	109.6610	0.000	1	109.6610	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	C(CCCH)(H)3	C(CCHH)2(CH3)(H)	C(CC[6a]CO)(CCCH)(H)2	C(CCCH)(H)3	106.8250	0.000	1	106.8250	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	112.0210	0.475	2	112.0210	0.226	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.8570	0.000	1	111.8570	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[5]BrC)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	110.6150	0.000	1	110.6150	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.9720	0.000	1	111.9720	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)3	109.5880	0.000	1	109.5880	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[5]HN)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.2392	0.959	6	111.2392	0.919	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CC[5]HO)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.4313	0.160	4	111.4313	0.026	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	113.5920	0.000	1	113.5920	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[6a]CH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	111.5090	0.325	4	111.5090	0.106	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[6a]CO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	109.7490	0.000	1	109.7490	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	C(CC[6a]HH)(CCHH)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(H)3	111.6660	0.000	1	111.6660	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(H)3	105.9050	0.000	1	105.9050	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	C(CC[6a]HO)(CCHH)(CH3)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(H)3	110.7840	0.000	1	110.7840	0.000	1	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CN[5]CH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	110.8290	2.422	3	110.8290	5.868	3	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CN[5]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	111.8323	0.912	6	111.8323	0.832	6	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	C(CN[5a]HH)(CCHH)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(H)3	112.1800	0.873	4	112.1800	0.763	4	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTa2C)(CCHH)(CH3)(H)	C(CC[6]TaH)(CCCH)(H)2	C(CCCH)(H)3	C(CTa2C)(CCHH)(CH3)(H)	C(CC[6]TaH)(CCCH)(H)2	C(CCCH)(H)3	111.8980	0.400	2	111.8980	0.160	2	111.0842	3.390	1672	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)2(O)	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(H)2(O)	109.7957	0.968	3	109.7957	0.936	3	109.7957	0.936	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CCCH)(H)3	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(F)3	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(F)3	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	112.5770	1.626	4	112.5770	2.645	4	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	C(CC[6a]CH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	111.4515	1.244	11	111.4515	1.548	11	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NCHH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NCHH)(H)2	C(CCCH)(H)3	110.6109	2.396	19	110.6109	5.743	19	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(CCCH)(NH3)(H)2	C(CCCH)(H)3	111.0235	6.997	18	111.0235	48.963	18	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	C(CHHN)2(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	111.7353	0.807	4	111.7353	0.652	4	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	C(CN[6]HH)(CHHN)(CH3)(H)	C(CCCH)(NCCH)(H)2	C(CCCH)(H)3	111.4747	3.511	3	111.4747	12.326	3	111.1470	17.283	59	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(H)3	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(H)3	109.8352	2.842	5	109.8352	8.078	5	110.7245	3.917	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(CCCH)(PC3)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(CCCH)(PC3)(H)2	C(CCCH)(H)3	110.5640	3.609	2	110.5640	13.025	2	110.7245	3.917	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(H)3	111.1218	1.324	12	111.1218	1.752	12	110.7245	3.917	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(CCCH)(SiO3)(H)2	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(CCCH)(SiO3)(H)2	C(CCCH)(H)3	111.4616	1.413	42	111.4616	1.997	42	111.4616	1.997	42	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CCCH)(H)3	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CCCH)(H)3	108.2405	0.525	2	108.2405	0.276	2	108.2405	0.276	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HH)(CH3)2(H)	C(C[3x6]C[6,6]3)(CCCH)(H)2	C(CCCH)(H)3	C(CC[3x6]HH)(CH3)2(H)	C(C[3x6]C[6,6]3)(CCCH)(H)2	C(CCCH)(H)3	110.9310	0.218	2	110.9310	0.047	2	110.9310	0.047	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4,6]N[5])(CCCH)(H)2	C(CCCH)(H)3	110.7450	2.973	2	110.7450	8.837	2	110.6807	4.723	6	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[4,5]HH)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(H)2	C(CCCH)(H)3	110.6485	2.219	4	110.6485	4.923	4	110.6807	4.723	6	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2C)(CCCH)(H)2	C(CCCH)(H)3	111.0970	3.557	2	111.0970	12.650	2	111.2203	5.518	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2N)(CCCH)(H)2	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]2N)(CCCH)(H)2	C(CCCH)(H)3	111.2310	2.822	6	111.2310	7.963	6	111.2203	5.518	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]N[4]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[4]HH)(CH3)2(H)	C(C[4]C[4]N[4]H)(CCCH)(H)2	C(CCCH)(H)3	111.2657	1.653	4	111.2657	2.732	4	111.2203	5.518	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C(CCCH)(H)3	110.8597	3.399	4	110.8597	11.550	4	110.7953	13.794	6	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,5]HH)(CH3)2(H)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C(CCCH)(H)3	110.6665	5.854	2	110.6665	34.271	2	110.7953	13.794	6	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C(CCCH)(H)3	113.8005	0.117	2	113.8005	0.014	2	112.3705	10.117	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C(CCCH)(H)3	C(CC[5,6]HH)(CH3)2(H)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C(CCCH)(H)3	110.9405	4.707	2	110.9405	22.158	2	112.3705	10.117	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	111.7050	0.000	1	111.7050	0.000	1	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	108.1550	0.000	1	108.1550	0.000	1	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CCCH)(H)3	109.1220	0.000	1	109.1220	0.000	1	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.7830	0.000	1	110.7830	0.000	1	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	111.2510	2.909	2	111.2510	8.462	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	111.4985	2.136	2	111.4985	4.563	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C(CCCH)(H)3	110.8485	2.963	2	110.8485	8.782	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.7295	2.446	2	110.7295	5.982	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C(CCCH)(H)3	111.3755	2.898	2	111.3755	8.401	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.6249	1.379	26	110.6249	1.900	26	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C(CCCH)(H)3	113.5465	1.558	2	113.5465	2.427	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCCH)(H)2	C(CCCH)(H)3	113.4990	3.349	4	113.4990	11.219	4	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(H)3	110.9832	1.733	4	110.9832	3.005	4	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Ir)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Ir)(CCCH)(H)2	C(CCCH)(H)3	110.6835	1.948	2	110.6835	3.795	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2N)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2N)(CCCH)(H)2	C(CCCH)(H)3	110.8285	3.591	4	110.8285	12.895	4	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Rh)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Rh)(CCCH)(H)2	C(CCCH)(H)3	110.4960	2.217	2	110.4960	4.917	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C(CCCH)(H)3	111.0766	2.092	8	111.0766	4.376	8	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.9108	1.581	54	110.9108	2.501	54	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C(CCCH)(H)3	111.0692	2.603	6	111.0692	6.776	6	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C(CCCH)(H)3	111.2570	2.189	2	111.2570	4.793	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.7175	1.100	2	110.7175	1.209	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]C[5]S[5]H)(CCCH)(H)2	C(CCCH)(H)3	110.7805	2.450	2	110.7805	6.003	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	111.2505	2.208	2	111.2505	4.877	2	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C(CCCH)(H)3	111.7780	2.274	4	111.7780	5.169	4	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(H)	C(C[5]O[5]2C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[5]HH)(CH3)2(H)	C(C[5]O[5]2C)(CCCH)(H)2	C(CCCH)(H)3	111.3208	2.197	4	111.3208	4.828	4	111.0051	3.402	142	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	109.9320	0.308	2	109.9320	0.095	2	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CCHN)(CH3)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	109.6903	2.157	3	109.6903	4.654	3	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(H)2	C(CCCH)(H)3	111.2386	1.674	27	111.2386	2.802	27	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	110.3865	1.818	2	110.3865	3.305	2	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(H)3	111.2790	3.905	2	111.2790	15.246	2	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(H)2	C(CCCH)(H)3	111.4575	1.575	2	111.4575	2.480	2	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	C(CCCH)(H)3	111.0302	1.513	38	111.0302	2.290	38	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(H)3	111.2897	0.905	4	111.2897	0.818	4	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[6]HH)(CH3)2(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(H)3	112.1295	3.198	2	112.1295	10.229	2	111.0633	2.637	82	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(H)(O)	C(CCCH)(H)3	111.0708	1.735	6	111.0708	3.010	6	111.0708	3.010	6	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Ge-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGeHH)(CH3)2(H)	C(GeGeCC)(CCCH)(H)2	C(CCCH)(H)3	C(CGeHH)(CH3)2(H)	C(GeGeCC)(CCCH)(H)2	C(CCCH)(H)3	111.2613	0.915	12	111.2613	0.837	12	111.2613	0.837	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	In[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CIn[6]HH)(CH3)2(H)	C(In[6]N[6]O[6]C)(CCCH)(H)2	C(CCCH)(H)3	C(CIn[6]HH)(CH3)2(H)	C(In[6]N[6]O[6]C)(CCCH)(H)2	C(CCCH)(H)3	111.3158	0.607	12	111.3158	0.368	12	111.3158	0.368	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CHHN)(CH3)(H)	C(NZnCC)(CCCH)(H)2	C(CCCH)(H)3	C(CCCO)(CHHN)(CH3)(H)	C(NZnCC)(CCCH)(H)2	C(CCCH)(H)3	106.8780	0.000	1	106.8780	0.000	1	110.6830	6.833	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NC[6]CuH)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NC[6]CuH)(CCCH)(H)2	C(CCCH)(H)3	110.7257	1.491	6	110.7257	2.224	6	110.6830	6.833	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NCuCH)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NCuCH)(CCCH)(H)2	C(CCCH)(H)3	110.3623	1.954	4	110.3623	3.817	4	110.6830	6.833	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NFeCC)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NFeCC)(CCCH)(H)2	C(CCCH)(H)3	111.1312	3.441	4	111.1312	11.843	4	110.6830	6.833	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(H)	C(NPdCH)(CCCH)(H)2	C(CCCH)(H)3	C(CHHN)(CH3)2(H)	C(NPdCH)(CCCH)(H)2	C(CCCH)(H)3	111.4428	3.953	4	111.4428	15.627	4	110.6830	6.833	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N[5,5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5,5]HH)(CH3)2(H)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	C(CN[5,5]HH)(CH3)2(H)	C(N[5,5]B[5,5]C[5]2)(CCCH)(H)2	C(CCCH)(H)3	111.2515	4.839	2	111.2515	23.413	2	111.2515	23.413	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	110.5380	0.547	2	110.5380	0.300	2	110.9641	4.023	16	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PC[6a]Pt2)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PC[6a]Pt2)(CCCH)(H)2	C(CCCH)(H)3	112.0160	3.442	4	112.0160	11.845	4	110.9641	4.023	16	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PC[6a]PtO)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PC[6a]PtO)(CCCH)(H)2	C(CCCH)(H)3	109.4905	1.802	2	109.4905	3.249	2	110.9641	4.023	16	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PCoCC)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PCoCC)(CCCH)(H)2	C(CCCH)(H)3	110.9130	1.315	8	110.9130	1.729	8	110.9641	4.023	16	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[4]HH)(CH3)2(H)	C(P[4]S[4]2C)(CCCH)(H)2	C(CCCH)(H)3	C(CP[4]HH)(CH3)2(H)	C(P[4]S[4]2C)(CCCH)(H)2	C(CCCH)(H)3	111.0823	2.566	4	111.0823	6.586	4	111.0823	6.586	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pd)(CCCH)(H)2	C(CCCH)(H)3	110.8190	2.940	2	110.8190	8.644	2	111.1822	2.941	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Pt)(CCCH)(H)2	C(CCCH)(H)3	110.6700	2.748	2	110.6700	7.550	2	111.1822	2.941	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	C(CCCH)(H)3	C(CP[6,6]HH)(CH3)2(H)	C(P[6,6]C[6,6]2Ru)(CCCH)(H)2	C(CCCH)(H)3	111.4011	1.463	8	111.4011	2.140	8	111.1822	2.941	12	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[6]HH)(CH3)2(H)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CCCH)(H)3	C(CP[6]HH)(CH3)2(H)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CCCH)(H)3	110.8845	0.961	2	110.8845	0.923	2	110.8845	0.923	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(SiCCO)(CCCH)(H)2	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(SiCCO)(CCCH)(H)2	C(CCCH)(H)3	111.6675	3.321	14	111.6675	11.030	14	111.6097	5.675	28	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(SiCOO)(CCCH)(H)2	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(SiCOO)(CCCH)(H)2	C(CCCH)(H)3	111.5322	0.924	12	111.5322	0.854	12	111.6097	5.675	28	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(SiC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(SiC[6a]3)(CCCH)(H)2	C(CCCH)(H)3	111.6700	0.557	2	111.6700	0.310	2	111.6097	5.675	28	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(O)	C(CCCO)(CH3)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(O)	C(CCCO)(CH3)(H)2	C(CCCO)(H)3	111.0215	4.246	2	111.0215	18.030	2	111.0215	18.030	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(O)	C(CCCO)(PC3)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(O)	C(CCCO)(PC3)(H)2	C(CCCO)(F)3	106.5295	2.010	2	106.5295	4.041	2	106.5295	4.041	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(F)3	C(CCHH)(CF3)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(F)3	112.7260	0.000	1	112.7260	0.000	1	112.7260	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	112.4020	2.778	2	112.4020	7.715	2	115.3637	10.232	10	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	115.8808	4.524	4	115.8808	20.470	4	115.3637	10.232	10	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(CH3)(NH3)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(H)3	116.3275	0.460	4	116.3275	0.211	4	115.3637	10.232	10	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(H)3	108.8070	0.000	1	108.8070	0.000	1	112.9815	15.685	28	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	C(CCHN)(H)3	C(CHHN)(CH3)(NH3)(H)	C(CCHN)(NH3)(H)2	C(CCHN)(H)3	113.1361	3.949	27	113.1361	15.593	27	112.9815	15.685	28	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:P-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	C(CCHP)(H)3	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	C(CCHP)(H)3	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCCH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	113.3760	3.025	2	113.3760	9.151	2	112.4723	2.325	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	112.1936	1.426	14	112.1936	2.034	14	112.4723	2.325	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(H)3	113.6515	0.832	2	113.6515	0.693	2	112.4723	2.325	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(CCHH)(NCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	112.2080	0.000	1	112.2080	0.000	1	112.4723	2.325	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(H)3	C(CHHN)(NCCH)(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(H)3	107.6750	0.000	1	107.6750	0.000	1	112.8937	18.670	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(NCCV)(H)2	C(CCHN)(H)3	C(CHHN)(NCCV)(CH3)(H)	C(CCHN)(NCCV)(H)2	C(CCHN)(H)3	111.8470	0.000	1	111.8470	0.000	1	112.8937	18.670	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(NHHV)(H)2	C(CCHN)(H)3	C(CHHN)(NHHV)(CH3)(H)	C(CCHN)(NHHV)(H)2	C(CCHN)(H)3	116.0265	2.838	2	116.0265	8.052	2	112.8937	18.670	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3,5]CH)(H)3	111.3322	0.878	9	111.3322	0.770	9	111.1174	0.845	11	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CC[3]HH)(H)2	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	C(CC[3,5]CH)(CC[3]HH)(H)2	C(CC[3,5]CH)(H)3	110.1505	0.067	2	110.1505	0.005	2	111.1174	0.845	11	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5,6]C[3]C[5])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	113.8560	0.000	1	113.8560	0.000	1	111.2720	13.354	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C(CC[3,5]CH)(H)3	108.6880	0.000	1	108.6880	0.000	1	111.2720	13.354	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(CH3)(H)2	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	C(CC[3]CH)(CH3)(H)2	C(CC[3]CH)(H)3	110.9493	0.430	3	110.9493	0.185	3	110.9493	0.185	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[3x5,6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(CCHH)(H)2	C(CC[3x5,6]CH)(H)3	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C(CC[3x5,6]CH)(CCHH)(H)2	C(CC[3x5,6]CH)(H)3	108.8200	1.370	2	108.8200	1.878	2	108.8200	1.878	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4,5,5,3x6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(CC[4,5,5,3x6]CH)(H)3	C(C[4,5,5,3x6]C[4,4,5,6,6]C[3x5,3x6]C[4,5,5,6])(CCHH)(CH3)(H)	C(CC[4,5,5,3x6]CH)(CC[5]HH)(H)2	C(CC[4,5,5,3x6]CH)(H)3	111.0580	0.000	1	111.0580	0.000	1	111.0580	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(CH3)(H)2	C(CC[4]CH)(H)3	C(C[4]S[4]2S)(CCHH)(CH3)(H)	C(CC[4]CH)(CH3)(H)2	C(CC[4]CH)(H)3	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(NC3)(H)2	C(CC[4]CH)(H)3	C(C[4]C[4]2H)(CHHN)(CH3)(H)	C(CC[4]CH)(NC3)(H)2	C(CC[4]CH)(H)3	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(CC[5,5,6]CH)(H)3	109.0140	1.857	3	109.0140	3.448	3	110.3264	4.985	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(CC[5,5,6]CH)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C(CC[5,5,6]CH)(H)3	111.3107	2.158	4	111.3107	4.657	4	110.3264	4.985	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CH3)(H)2	C(CC[5,5]CH)(H)3	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C(CC[5,5]CH)(CH3)(H)2	C(CC[5,5]CH)(H)3	109.9500	0.000	1	109.9500	0.000	1	110.3697	0.654	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCHH)(H)2	C(CC[5,5]CH)(H)3	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C(CC[5,5]CH)(CCHH)(H)2	C(CC[5,5]CH)(H)3	110.5795	1.022	2	110.5795	1.044	2	110.3697	0.654	3	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(CBrHH)(Br)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C(CC[5]CH)(CBrHH)(Br)(H)	C(CC[5]CH)(H)3	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	112.2300	0.000	1	112.2300	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	110.6240	0.850	3	110.6240	0.722	3	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HO)(H)2	C(CC[5]CH)(H)3	112.3110	0.000	1	112.3110	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC3)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC3)(H)2	C(CC[5]CH)(H)3	109.9770	0.000	1	109.9770	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	111.5330	0.000	1	111.5330	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	110.0850	0.318	2	110.0850	0.101	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[4]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[4]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.2620	0.000	1	110.2620	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	110.7210	3.419	3	110.7210	11.687	3	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	110.3620	0.829	285	110.3620	0.688	285	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	109.6432	1.384	4	109.6432	1.916	4	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	C(CC[5]CH)(H)3	109.8695	1.341	2	109.8695	1.799	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	C(CC[5]CH)(H)3	109.4630	0.000	1	109.4630	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(CZrHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Zr)(CCHH)(CH3)(H)	C(CC[5]CH)(CZrHO)(H)2	C(CC[5]CH)(H)3	113.2920	0.000	1	113.2920	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	112.4650	0.544	2	112.4650	0.296	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	113.0405	3.225	2	113.0405	10.401	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HN)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HN)(H)2	C(CC[5]CH)(H)3	111.9074	0.794	16	111.9074	0.630	16	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HP)(H)2	C(CC[5]CH)(H)3	112.3890	0.465	9	112.3890	0.216	9	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)2(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]CH)2(H)2	C(CC[5]CH)(H)3	111.2369	1.584	7	111.2369	2.510	7	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)(H)	C(CC[5]ClH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	111.7987	0.465	3	111.7987	0.217	3	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[3]HH)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	112.4630	0.000	1	112.4630	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	110.2237	1.644	10	110.2237	2.703	10	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHO)(H)2	C(CC[5]CH)(H)3	107.8960	0.000	1	107.8960	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Ir)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	115.2760	0.635	2	115.2760	0.403	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	108.5240	0.000	1	108.5240	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(H)2	C(CC[5]CH)(H)3	113.9220	0.000	1	113.9220	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CHHO)(H)2	C(CC[5]CH)(H)3	111.5300	0.279	2	111.5300	0.078	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CRuCC)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Ru)(CCHH)(CH3)(H)	C(CC[5]CH)(CRuCC)(H)2	C(CC[5]CH)(H)3	111.3180	1.590	2	111.3180	2.527	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(H)3	113.0990	0.000	1	113.0990	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	112.5477	0.612	6	112.5477	0.375	6	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(H)3	110.7750	0.000	1	110.7750	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	111.6870	0.540	2	111.6870	0.292	2	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C(CC[5]CH)(CC[6]HH)(H)2	C(CC[5]CH)(H)3	111.9770	0.000	1	111.9770	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CC[5]CH)(H)3	110.4060	0.000	1	110.4060	0.000	1	110.6314	1.385	377	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.0030	0.000	1	108.0030	0.000	1	108.1801	0.622	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.7515	1.573	2	108.7515	2.475	2	108.1801	0.622	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	107.6580	0.110	2	107.6580	0.012	2	108.1801	0.622	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.2195	0.114	2	108.2195	0.013	2	108.1801	0.622	7	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	109.7420	0.000	1	109.7420	0.000	1	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.2580	0.000	1	110.2580	0.000	1	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]Rh)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2Rh)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.6680	0.000	1	110.6680	0.000	1	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	112.1020	0.000	1	112.1020	0.000	1	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.5670	0.270	2	108.5670	0.073	2	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	108.5605	0.999	2	108.5605	0.998	2	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	107.7485	0.862	10	107.7485	0.744	10	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	110.1340	0.000	1	110.1340	0.000	1	108.6655	2.105	19	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	C(C[5]C[5]2Fe)(CC[6]HH)(CH3)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	C(CC[5]CH)(H)3	109.1320	0.047	2	109.1320	0.002	2	109.1320	0.002	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(CCHH)(H)2	C(CC[6,6]CH)(H)3	C(C[6,6]C[3x6]C[6,6]O)(CCHH)(CH3)(H)	C(CC[6,6]CH)(CCHH)(H)2	C(CC[6,6]CH)(H)3	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CC[6]ClC)(CCHH)(H)2	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CC[6]ClC)(CCHH)(H)2	C(CC[6]ClC)(H)3	106.9760	0.000	1	106.9760	0.000	1	111.4750	40.482	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CC[6]ClC)(CCl3)(H)2	C(CC[6]ClC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(Cl)	C(CC[6]ClC)(CCl3)(H)2	C(CC[6]ClC)(H)3	115.9740	0.000	1	115.9740	0.000	1	111.4750	40.482	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[3,5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	109.3550	0.000	1	109.3550	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[3x6]C[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	111.2310	0.000	1	111.2310	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[4,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	109.7100	0.000	1	109.7100	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[5,5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[5,5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	107.7070	0.000	1	107.7070	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	111.7737	1.203	3	111.7737	1.447	3	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[5,6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	109.4350	0.000	1	109.4350	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	109.4363	1.809	9	109.4363	3.274	9	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6a]C[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	112.8370	0.000	1	112.8370	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	110.9975	0.301	2	110.9975	0.090	2	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	112.8153	1.174	3	112.8153	1.378	3	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CHHI)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(CC[6]CH)(CHHI)(H)2	C(CC[6]CH)(H)3	109.9070	0.000	1	109.9070	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[3,5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[3,5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	105.2290	0.075	2	105.2290	0.006	2	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[5]HH)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	110.4500	1.923	4	110.4500	3.697	4	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	111.4017	0.353	3	111.4017	0.125	3	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	C(CC[6]CH)(H)3	109.1410	0.013	2	109.1410	0.000	2	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCO)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCO)(H)2	C(CC[6]CH)(H)3	113.0990	0.000	1	113.0990	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(H)3	111.3700	0.000	1	111.3700	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	112.2269	1.385	8	112.2269	1.918	8	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CC[6]CH)(H)3	111.3137	1.904	3	111.3137	3.626	3	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	112.1093	0.746	4	112.1093	0.556	4	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]N)(CCHH)(CH3)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(H)3	110.4750	0.000	1	110.4750	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHH)(CH3)(H)	C(CC[6]CH)(CCHO)(H)2	C(CC[6]CH)(H)3	109.2450	0.000	1	109.2450	0.000	1	110.7407	4.120	54	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:O-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CC[6]CH)(H)3	114.0920	0.000	1	114.0920	0.000	1	114.0920	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(NCuCC)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2Cu)(CHHN)(CH3)(H)	C(CC[6]CH)(NCuCC)(H)2	C(CC[6]CH)(H)3	109.1920	0.793	4	109.1920	0.629	4	109.1920	0.629	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	109.9520	1.088	2	109.9520	1.183	2	109.9005	6.414	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	106.8450	0.000	1	106.8450	0.000	1	109.9005	6.414	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[5]HH)(CH3)(H)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C(CC[6]CH)(H)3	112.8530	0.000	1	112.8530	0.000	1	109.9005	6.414	4	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(NC[6]HH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	112.1700	0.000	1	112.1700	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(NC[6]NiH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	111.5680	3.164	2	111.5680	10.008	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(NC[6]ZnH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	110.2410	2.920	2	110.2410	8.528	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	C(NC[6a]CH)(CCHH)(CH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(H)3	113.8090	0.000	2	113.8090	0.000	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NCoCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.6482	0.998	4	110.6482	0.995	4	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NCoCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.1244	0.472	5	110.1244	0.223	5	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(CCHN)(H)3	C(NCoCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(CCHN)(H)3	111.1900	0.000	1	111.1900	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NCrCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.4034	0.594	12	109.4034	0.353	12	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(CCHN)(H)3	C(NCrCH)(CCHH)(CH3)(H)	C(CC[6a]HN)(CCHN)(H)2	C(CCHN)(H)3	110.3600	0.096	2	110.3600	0.009	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NCuCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.3810	1.062	2	109.3810	1.128	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NCuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.6163	0.637	7	109.6163	0.406	7	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	C(CCHN)(H)3	C(NCuCH)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	C(CCHN)(H)3	110.7690	0.000	1	110.7690	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	C(NCuCH)(CCHH)(CH3)(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(H)3	109.0200	0.000	1	109.0200	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NFeCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.6347	1.108	3	109.6347	1.229	3	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NNiCC)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	110.2065	1.190	4	110.2065	1.416	4	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NNiCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	109.1014	0.820	70	109.1014	0.672	70	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHN)(H)3	C(NPdCH)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHN)(H)3	113.2280	0.000	1	113.2280	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(CCHN)(H)3	C(NPtCH)(CCHH)(CH3)(H)	C(CCHN)2(H)2	C(CCHN)(H)3	116.3423	1.892	3	116.3423	3.579	3	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NRhCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	111.1530	0.611	2	111.1530	0.373	2	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	C(NRuCH)(CCHH)(CH3)(H)	C(CCCN)(CCHN)(H)2	C(CCHN)(H)3	108.8980	0.000	1	108.8980	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnCC)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	C(CCHN)(H)3	C(NZnCC)(CCHH)(CH3)(H)	C(CCCO)(CCHN)(H)2	C(CCHN)(H)3	107.7570	0.000	1	107.7570	0.000	1	109.7266	2.602	127	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CHHN)(CH3)(H)	C(NCoHH)(CCHN)(H)2	C(CCHN)(H)3	C(NCoHH)(CHHN)(CH3)(H)	C(NCoHH)(CCHN)(H)2	C(CCHN)(H)3	110.7980	9.840	3	110.7980	96.820	3	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCC)(CCHN)(H)2	C(CCHN)(H)3	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCC)(CCHN)(H)2	C(CCHN)(H)3	111.0920	0.000	1	111.0920	0.000	1	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCH)(CCHN)(H)2	C(CCHN)(H)3	C(NCuCH)(CHHN)(CH3)(H)	C(NCuCH)(CCHN)(H)2	C(CCHN)(H)3	113.2950	0.000	1	113.2950	0.000	1	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CHHN)(CH3)(H)	C(NCuHH)(CCHN)(H)2	C(CCHN)(H)3	C(NCuHH)(CHHN)(CH3)(H)	C(NCuHH)(CCHN)(H)2	C(CCHN)(H)3	114.9270	5.980	11	114.9270	35.757	11	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnCC)(CHHN)(CH3)(H)	C(NMnCC)(CCHN)(H)2	C(CCHN)(H)3	C(NMnCC)(CHHN)(CH3)(H)	C(NMnCC)(CCHN)(H)2	C(CCHN)(H)3	108.6630	0.000	1	108.6630	0.000	1	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnHH)(CHHN)(CH3)(H)	C(NMnHH)(CCHN)(H)2	C(CCHN)(H)3	C(NMnHH)(CHHN)(CH3)(H)	C(NMnHH)(CCHN)(H)2	C(CCHN)(H)3	111.7207	0.279	3	111.7207	0.078	3	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CHHN)(CH3)(H)	C(NNiCH)(CCHN)(H)2	C(CCHN)(H)3	C(NNiCH)(CHHN)(CH3)(H)	C(NNiCH)(CCHN)(H)2	C(CCHN)(H)3	111.1830	0.076	2	111.1830	0.006	2	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CHHN)(CH3)(H)	C(NNiHH)(CCHN)(H)2	C(CCHN)(H)3	C(NNiHH)(CHHN)(CH3)(H)	C(NNiHH)(CCHN)(H)2	C(CCHN)(H)3	112.0737	5.965	17	112.0737	35.577	17	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnHH)(CHHN)(CH3)(H)	C(NZnHH)(CCHN)(H)2	C(CCHN)(H)3	C(NZnHH)(CHHN)(CH3)(H)	C(NZnHH)(CCHN)(H)2	C(CCHN)(H)3	111.9755	1.610	4	111.9755	2.591	4	112.5657	29.250	43	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuHH)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHN)(H)2	C(CCHN)(H)3	C(NRuHH)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHN)(H)2	C(CCHN)(H)3	112.2545	0.285	2	112.2545	0.081	2	112.2545	0.081	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	C(CCHP)(H)3	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	C(PC[6a]2Co)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	110.7190	2.111	2	110.7190	4.458	2	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	109.4510	1.389	2	109.4510	1.929	2	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	C(CCHP)(H)3	111.5070	0.000	1	111.5070	0.000	1	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	111.7027	1.430	3	111.7027	2.045	3	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHH)(CH3)(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(H)3	111.2893	1.157	6	111.2893	1.338	6	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	C(CCHP)(H)3	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	C(CCHP)(H)3	113.7400	1.464	2	113.7400	2.142	2	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	C(PC[6a]C[6]Pd)(CCHH)(CH3)(H)	C(CCHP)2(H)2	C(CCHP)(H)3	111.3190	0.000	1	111.3190	0.000	1	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	C(CCHP)(H)3	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	C(CCHP)(H)3	113.1690	0.000	1	113.1690	0.000	1	111.4811	2.480	18	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(PC[6a]2Fe)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Fe)(CHHP)(CH3)(H)	C(PC[6a]2Fe)(CCHP)(H)2	C(CCHP)(H)3	110.3999	2.151	14	110.3999	4.627	14	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(PC[6a]2Ir)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Ir)(CHHP)(CH3)(H)	C(PC[6a]2Ir)(CCHP)(H)2	C(CCHP)(H)3	110.9323	1.371	3	110.9323	1.878	3	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]PdC)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Pd)(CHHP)(CH3)(H)	C(PC[6a]PdC)(CCHP)(H)2	C(CCHP)(H)3	113.6363	0.591	6	113.6363	0.349	6	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(PC[6a]2Rh)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Rh)(CHHP)(CH3)(H)	C(PC[6a]2Rh)(CCHP)(H)2	C(CCHP)(H)3	111.8710	0.641	3	111.8710	0.411	3	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]2Ru)(CHHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(H)2	C(CCHP)(H)3	111.7564	1.756	8	111.7564	3.084	8	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(H)3	C(PC[6a]PdC)(CHHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(H)3	112.8787	1.063	3	112.8787	1.129	3	111.5814	3.945	37	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(CP[5]HH)(H)2	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)(CP[5]HH)(H)2	C(CP[5]CH)(H)3	113.2780	0.000	1	113.2780	0.000	1	111.0852	8.370	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(CP[5]CH)(H)3	C(P[5]C[5]2Pd)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(CP[5]CH)(H)3	110.2430	4.789	2	110.2430	22.930	2	111.0852	8.370	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(CP[5]CH)(H)3	C(P[5]C[5]2S)(CCHH)(CH3)(H)	C(CP[5]CH)2(H)2	C(CP[5]CH)(H)3	111.0005	2.748	6	111.0005	7.552	6	111.0852	8.370	9	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	C(CCHS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(H)	C(CCHI)(CCHS)(H)2	C(CCHS)(H)3	113.6415	0.363	2	113.6415	0.132	2	113.6415	0.132	2	111.0286	4.259	3040	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(OH)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CCHH)(Br)(H)	C(CClCC)(OH)(H)2	112.2545	1.221	2	112.2545	1.491	2	111.3527	3.186	3	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:Br-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CClHH)(Br)(H)	C(CClCC)(OC)(H)2	C(CBrCH)(CHHO)(CH3)(Cl)	C(CClCC)(CClHH)(Br)(H)	C(CClCC)(OC)(H)2	109.5490	0.000	1	109.5490	0.000	1	111.3527	3.186	3	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CC[6a]HH)(CClCC)(H)2	C(CClCC)(OC)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CC[6a]HH)(CClCC)(H)2	C(CClCC)(OC)(H)2	108.1915	0.542	2	108.1915	0.294	2	108.3827	0.257	3	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(OH)(H)2	C(CBrHH)(CCHH)(CHHO)(Cl)	C(CClCC)(CCHH)(H)2	C(CClCC)(OH)(H)2	108.7650	0.000	1	108.7650	0.000	1	108.3827	0.257	3	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:F-1:F-1:	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CC)(F)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CC)(F)2	113.0985	0.465	2	113.0985	0.216	2	113.0985	0.216	2	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CC)(H)2	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CCHN)(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	112.4555	0.260	2	112.4555	0.067	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	107.9220	0.000	1	107.9220	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	106.3270	0.000	1	106.3270	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	112.0730	0.000	1	112.0730	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(OC)(H)2	106.5440	0.000	1	106.5440	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OC)(H)2	112.3237	1.129	3	112.3237	1.275	3	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	109.5770	1.449	5	109.5770	2.099	5	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	112.7005	0.022	2	112.7005	0.000	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(OS)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(OS)(H)2	110.9140	0.000	1	110.9140	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CC[5]HO)(CCCH)(H)2	C(CCCH)(OC)(H)2	114.5900	0.000	1	114.5900	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(OC)(H)2	C(CCHH)(CHHO)(CH3)(H)	C(CC[6a]CH)(CCCH)(H)2	C(CCCH)(OC)(H)2	107.7890	0.000	1	107.7890	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)(CHHO)2(H)	C(CN[5a]HH)(CCCH)(H)2	C(CCCH)(OH)(H)2	111.9865	4.122	2	111.9865	16.989	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	110.9190	0.000	1	110.9190	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(OC)(H)2	110.2145	2.985	2	110.2145	8.908	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	C(CCCH)(OH)(H)2	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	C(CCCH)(OH)(H)2	107.9240	0.000	1	107.9240	0.000	1	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	C(CC[6a]CH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(OH)(H)2	110.9290	0.330	2	110.9290	0.109	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(OS)(H)2	112.3795	0.752	2	112.3795	0.565	2	110.7307	5.460	29	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHN)(CHHS)2(H)	C(CCCH)(NH3)(H)2	C(CCCH)(SC)(H)2	C(CHHN)(CHHS)2(H)	C(CCCH)(NH3)(H)2	C(CCCH)(SC)(H)2	111.8335	2.239	4	111.8335	5.012	4	111.8335	5.012	4	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	114.2405	0.738	6	114.2405	0.544	6	114.5464	1.244	9	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OS)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OS)(H)2	114.8500	0.000	1	114.8500	0.000	1	114.5464	1.244	9	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	C(CCHH)(CHHO)(NH3)(H)	C(CCHN)(CH3)(H)2	C(CCHN)(OH)(H)2	115.3125	2.324	2	115.3125	5.402	2	114.5464	1.244	9	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:O-1:	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OH)(H)(O)	C(CCHH)(CHOO)(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(OH)(H)(O)	111.6850	2.054	4	111.6850	4.218	4	111.6850	4.218	4	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OC)(H)2	108.1000	0.000	1	108.1000	0.000	1	108.2744	0.869	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OC)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OC)(H)2	108.5370	1.800	2	108.5370	3.241	2	108.2744	0.869	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(OH)(H)2	108.0990	0.059	2	108.0990	0.004	2	108.2744	0.869	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	C(CC[5]CH)(OC)(H)2	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C(C[6]C[5,6]C[6]O)(CC[5]CH)(H)2	C(CC[5]CH)(OC)(H)2	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	C(C[6]C[6,6a]2H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	110.3490	0.208	2	110.3490	0.043	2	110.9386	2.299	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	112.4850	0.109	2	112.4850	0.012	2	110.9386	2.299	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CHHO)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(OC)(H)2	109.0250	0.000	1	109.0250	0.000	1	110.9386	2.299	5	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C(CC[6]CH)(OH)(H)2	C(C[6]C[6]O[6]H)(CC[5]HH)(CHHO)(H)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C(CC[6]CH)(OH)(H)2	108.6130	1.071	2	108.6130	1.146	2	108.6130	1.146	2	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OIr)(H)2	C(NC[6]Ir2)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OIr)(H)2	113.1090	0.000	1	113.1090	0.000	1	113.8060	0.972	2	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NIrCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OIr)(H)2	C(NIrCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OIr)(H)2	114.5030	0.000	1	114.5030	0.000	1	113.8060	0.972	2	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(OH)(H)2	C(PC[6a]2Pd)(CHHO)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(OH)(H)2	108.8740	2.052	2	108.8740	4.211	2	108.8740	4.211	2	111.1326	6.216	72	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:2:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:O-2:H-1:	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CC)(OH)(H)	110.2530	0.107	2	110.2530	0.012	2	110.2530	0.012	2	110.2530	0.012	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:Cl-1:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(Cl)	C(CClCC)(NCoCH)(H)2	C(CClCC)(NCoC)(H)2	C(CHHN)3(Cl)	C(CClCC)(NCoCH)(H)2	C(CClCC)(NCoC)(H)2	113.7740	1.329	2	113.7740	1.767	2	113.7740	1.767	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	112.3550	0.000	1	112.3550	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCH)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCH)(H)2	110.9650	0.000	1	110.9650	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCCN)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)(H)2	C(CCCN)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)(H)2	112.3160	0.000	1	112.3160	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(COO)(H)2	C(CCHH)2(CF3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(COO)(H)2	111.3715	0.168	2	111.3715	0.028	2	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(CNO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CC3)(H)2	C(CCCH)(CNO)(H)2	109.3710	3.253	2	109.3710	10.580	2	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCH)(H)2	112.3720	0.451	2	112.3720	0.204	2	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCH)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCH)(H)2	111.5433	0.527	3	111.5433	0.278	3	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCO)(H)2	112.9630	4.063	2	112.9630	16.508	2	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	112.0470	0.000	1	112.0470	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	112.2960	0.000	1	112.2960	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(CCC)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)(CCC)(H)2	110.1435	0.334	2	110.1435	0.112	2	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CCO)(H)2	111.1910	0.000	1	111.1910	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(COO)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(COO)(H)2	110.6240	0.000	1	110.6240	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(COO)(H)2	C(CC[5a]C[6a]H)(CCHH)2(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(COO)(H)2	112.4400	0.000	1	112.4400	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	C(CC[6a]CC)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(COO)(H)2	111.9310	0.000	1	111.9310	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)(H)2	112.5315	0.666	4	112.5315	0.443	4	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCO)(H)2	C(CSiCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCO)(H)2	112.3530	0.000	1	112.3530	0.000	1	111.6932	2.170	27	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NCC)(H)2	C(CCHH)(CHHN)(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NCC)(H)2	106.0280	0.000	1	106.0280	0.000	1	109.4374	3.937	5	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NTcC)(H)2	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NTcC)(H)2	110.7895	0.432	2	110.7895	0.187	2	109.4374	3.937	5	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(NCC)(H)2	C(CC[6a]CO)(CCHH)(CHHN)(H)	C(CCCH)(CHHO)(H)2	C(CCCH)(NCC)(H)2	109.7900	0.182	2	109.7900	0.033	2	109.4374	3.937	5	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(SCO)(H)2	108.7890	0.000	1	108.7890	0.000	1	110.7430	7.636	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C(CCHH)2(CHHS)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(SCO)(H)2	C(CCHH)2(CHHS)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(SCO)(H)2	112.6970	0.000	1	112.6970	0.000	1	110.7430	7.636	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CCCH)(CCO)(H)2	C(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]O[6]H)(CCCH)(H)2	C(CCCH)(CCO)(H)2	113.1280	1.219	2	113.1280	1.486	2	113.1280	1.486	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CNO)(H)2	C(CCHH)2(NCCH)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CNO)(H)2	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(CCHH)(H)2	C(CC[3]CH)(COO)(H)2	C(C[3]C[3]2C)(CCHH)2(H)	C(CC[3]CH)(CCHH)(H)2	C(CC[3]CH)(COO)(H)2	109.8175	0.161	2	109.8175	0.026	2	109.8175	0.026	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[3x6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(CCHH)(H)2	C(CC[3x6]CH)(COO)(H)2	C(C[3x6]C[6,6]3)(CCHH)2(H)	C(CC[3x6]CH)(CCHH)(H)2	C(CC[3x6]CH)(COO)(H)2	108.7410	0.000	1	108.7410	0.000	1	108.7410	0.000	1	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCH)(H)2	108.1285	0.093	2	108.1285	0.009	2	108.9650	2.103	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]O[5]C)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCH)(H)2	110.6380	0.000	1	110.6380	0.000	1	108.9650	2.103	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(CCH)(H)2	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(CCH)(H)2	110.8740	0.000	1	110.8740	0.000	1	111.5320	0.866	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(COO)(H)2	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(COO)(H)2	112.1900	0.000	1	112.1900	0.000	1	111.5320	0.866	2	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CCO)(H)2	111.4500	0.728	2	111.4500	0.530	2	111.3330	0.306	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CCHH)2(H)	C(CC[6a]HH)(CC[6]CH)(H)2	C(CC[6]CH)(COO)(H)2	111.0990	0.000	1	111.0990	0.000	1	111.3330	0.306	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(NHH)(H)2	C(C[6]C[6]2H)(CCHH)(CHHN)(H)	C(CC[6]CH)(CH3)(H)2	C(CC[6]CH)(NHH)(H)2	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]CH)(H)2	C(CC[6]CH)(COO)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2H)(CC[6]CH)(H)2	C(CC[6]CH)(COO)(H)2	110.8780	0.000	1	110.8780	0.000	1	110.8780	0.000	1	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(NFeCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OFe2)(H)2	C(NFeCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHN)(H)2	C(CCHN)(OFe2)(H)2	112.6802	0.912	9	112.6802	0.832	9	112.6802	0.832	9	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(CCO)(H)2	110.3025	0.091	2	110.3025	0.008	2	110.7777	1.154	4	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHP)(H)2	C(CCHP)(COO)(H)2	111.2530	1.597	2	111.2530	2.549	2	110.7777	1.154	4	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(CCO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(CCO)(H)2	112.6180	0.000	1	112.6180	0.000	1	112.9810	0.109	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(COO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(COO)(H)2	113.1625	0.141	2	113.1625	0.020	2	112.9810	0.109	3	111.5478	3.089	68	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(COO)2(H)	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	111.9680	17.111	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:3:3:1:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C(SC[6a]OO)(CC[5]CH)(H)2	C(CC[5]CH)(COO)2(H)	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	111.9680	17.111	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CHHO)(Cl)(H)	C(CBrCC)(CCHH)(H)2	C(CClCH)(CCHH)(CH3)(Br)	C(CBrCC)(CHHO)(Cl)(H)	C(CBrCC)(CCHH)(H)2	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:Cl-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)3(Cl)	C(CClCC)(NCoCH)(H)2	C(CClCC)(NCoCH)(H)2	C(CHHN)3(Cl)	C(CClCC)(NCoCH)(H)2	C(CClCC)(NCoCH)(H)2	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:Cl-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CClCC)(CHHO)(H)2	C(CC[4]HH)(CCHH)(CH3)(Cl)	C(C[4]C[4]2Cl)(CClCC)(H)2	C(CClCC)(CHHO)(H)2	113.1415	0.173	2	113.1415	0.030	2	113.1415	0.030	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C(CCFF)(CCHH)(CF3)(F)	C(CRhHH)(CCCF)(H)2	C(CCCF)(CF3)(F)2	C(CCFF)(CCHH)(CF3)(F)	C(CRhHH)(CCCF)(H)2	C(CCCF)(CF3)(F)2	113.2370	0.000	1	113.2370	0.000	1	113.2370	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBHN)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CBHN)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	112.7490	0.324	3	112.7490	0.105	3	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CBr3)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	113.3230	0.000	1	113.3230	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	114.0449	1.476	7	114.0449	2.178	7	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	111.0042	3.176	12	111.0042	10.089	12	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)(H)2	110.2300	0.000	1	110.2300	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	108.0660	0.000	1	108.0660	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	110.2950	0.000	1	110.2950	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	111.4646	0.562	11	111.4646	0.316	11	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CC[5a]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	C(CC[5a]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	110.4680	0.000	1	110.4680	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CCl3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	114.2380	0.127	2	114.2380	0.016	2	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHO)(H)2	112.8402	2.496	4	112.8402	6.228	4	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	113.8880	0.000	1	113.8880	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CHHN)(H)2	109.2880	0.000	1	109.2880	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(H)2	113.3435	1.729	2	113.3435	2.989	2	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(H)2	C(CCHH)2(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(H)2	110.5487	1.402	4	110.5487	1.965	4	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CHHN)(H)2	C(CCHH)2(CH3)(H)	C(CC[5]HH)(CCCH)(H)2	C(CCCH)(CHHN)(H)2	112.9030	0.000	1	112.9030	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.0257	0.200	3	111.0257	0.040	3	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCCH)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCCH)(H)2	114.0020	0.000	1	114.0020	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(CHHO)(H)2	C(CCHH)2(CH3)(H)	C(CC[6]HO)(CCCH)(H)2	C(CCCH)(CHHO)(H)2	111.2350	0.000	1	111.2350	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	116.9230	0.000	1	116.9230	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	115.7310	0.000	1	115.7310	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHO)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	112.4634	1.359	5	112.4634	1.846	5	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CHHO)(H)	C(CC[6a]HO)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	113.9410	0.000	1	113.9410	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CCHH)2(CHHS)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	113.5700	0.000	1	113.5700	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)3(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(H)2	110.6900	1.872	2	110.6900	3.506	2	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)3(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	110.9550	0.000	1	110.9550	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	111.3095	2.732	2	111.3095	7.461	2	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5a]HO)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	C(CC[5a]HO)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	113.1470	0.000	1	113.1470	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	111.6590	0.000	1	111.6590	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	113.1805	0.571	2	113.1805	0.326	2	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	111.2110	0.000	1	111.2110	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[6a]HO)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(H)2	112.8260	0.000	1	112.8260	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCoCH)(CCHH)2(H)	C(CCoCH)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CCoCH)(CCHH)2(H)	C(CCoCH)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.5990	0.000	1	111.5990	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	113.3567	0.880	3	113.3567	0.774	3	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	C(CN[5a]HH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)(H)2	114.5870	0.000	1	114.5870	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[6a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	C(CN[6a]HH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)(H)2	112.9390	0.000	1	112.9390	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CRhCH)(CCHH)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CRhCC)(CCCH)(H)2	C(CRhCH)(CCHH)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(CRhCC)(CCCH)(H)2	113.3580	0.000	1	113.3580	0.000	1	112.1813	4.283	85	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CF3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	112.7230	0.000	1	112.7230	0.000	1	113.0719	53.116	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	C(CCHH)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	111.1273	6.961	4	111.1273	48.455	4	113.0719	53.116	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(NH3)(H)2	125.0430	0.000	1	125.0430	0.000	1	113.0719	53.116	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(NH3)(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(NH3)(H)2	109.2280	0.000	1	109.2280	0.000	1	113.0719	53.116	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	C(CC[6a]HH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	108.8915	1.487	2	108.8915	2.211	2	108.8915	2.211	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHN)(H)	C(CCCH)(NH3)(H)2	C(CCCH)2(H)2	C(CCHH)2(CHHN)(H)	C(CCCH)(NH3)(H)2	C(CCCH)2(H)2	109.3476	1.071	22	109.3476	1.146	22	109.3476	1.146	22	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(PO3)(H)2	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(PO3)(H)2	C(CCCH)2(H)2	111.4000	1.335	2	111.4000	1.782	2	110.7671	2.390	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(CC3)(H)2	C(CCHH)(CHHP)(CH3)(H)	C(CCCH)(PCSS)(H)2	C(CCCH)(CC3)(H)2	110.5140	1.691	5	110.5140	2.859	5	110.7671	2.390	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(SiC3)(H)2	C(CCCH)(CH3)(H)2	C(CN[5]CH)(CSiHH)(CCHH)(H)	C(CCCH)(SiC3)(H)2	C(CCCH)(CH3)(H)2	112.6630	0.192	2	112.6630	0.037	2	112.7570	0.045	3	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:Si-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(SiC3)(H)2	C(CCCH)(CH3)(H)2	C(CSiHH)(CCHH)(CCHN)(H)	C(CCCH)(SiC3)(H)2	C(CCCH)(CH3)(H)2	112.9450	0.000	1	112.9450	0.000	1	112.7570	0.045	3	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.6667	0.498	4	111.6667	0.248	4	111.6667	0.248	4	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[3,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CCCH)(CCHO)(H)2	C(CC[3,6]HH)(CCHH)(CH3)(H)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C(CCCH)(CCHO)(H)2	112.0115	0.001	2	112.0115	0.000	2	112.0115	0.000	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:Si-4:H-1:H-1:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CCCH)(SiC3)(H)2	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	111.2360	0.000	1	111.2360	0.000	1	111.9914	2.023	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CC[5]CH)(CCCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C(CC[5]CH)(CCCH)(H)2	112.9250	0.000	1	112.9250	0.000	1	111.9914	2.023	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	109.2140	0.000	1	109.2140	0.000	1	111.9914	2.023	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CCCH)(CCHH)(H)2	112.9115	0.538	2	112.9115	0.290	2	111.9914	2.023	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CC[5]HH)(CCHH)2(H)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C(CCCH)(CH3)(H)2	112.3710	0.841	2	112.3710	0.708	2	111.9914	2.023	7	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(CHHS)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(CHHS)(H)2	108.3305	0.494	2	108.3305	0.244	2	110.3574	4.373	5	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CCCH)(H)2	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CCCH)(H)2	112.6790	0.000	1	112.6790	0.000	1	110.3574	4.373	5	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2C)(CCCH)(H)2	C(CCCH)(CH3)(H)2	111.2235	1.463	2	111.2235	2.140	2	110.3574	4.373	5	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CCHH)(CHHN)2(H)	C(NCuCH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	C(CCHH)(CHHN)2(H)	C(NCuCH)(CCCH)(H)2	C(NCuCH)(CCCH)(H)2	113.1380	0.000	1	113.1380	0.000	1	112.5295	0.741	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHN)2(H)	C(NCoCH)(CCCH)(H)2	C(NCoCH)(CCCH)(H)2	C(CC[6a]HH)(CHHN)2(H)	C(NCoCH)(CCCH)(H)2	C(NCoCH)(CCCH)(H)2	111.9210	0.000	1	111.9210	0.000	1	112.5295	0.741	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CBCH)(CCHH)(H)	C(SiCCO)(CCCH)(H)2	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	C(SiCCO)(CCCH)(H)2	C(CCCH)(CH3)(H)2	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NCHH)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	114.2310	1.803	2	114.2310	3.251	2	117.8710	13.304	50	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	C(CCHH)2(NH3)(H)	C(CCHH)(CCHN)(H)2	C(CCHH)(CCHN)(H)2	118.0226	3.635	48	118.0226	13.214	48	117.8710	13.304	50	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:P-4:F-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	C(CCCH)(CCHN)(H)2	C(CCHH)(CFHP)(NH3)(H)	C(CCHN)(PO3)(F)(H)	C(CCCH)(CCHN)(H)2	114.8470	0.000	1	114.8470	0.000	1	114.8470	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3]-4:C-4:C-4:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	C(CC[3]CH)(CCHH)(H)2	114.1105	0.047	2	114.1105	0.002	2	114.1105	0.002	2	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2O)(CC[3]CH)(H)2	C(CC[3]CH)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[5]C[5]2O)(CC[3]CH)(H)2	C(CC[3]CH)(CCHH)(H)2	112.7382	0.854	4	112.7382	0.730	4	112.7382	0.730	4	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]B[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	113.6290	0.000	1	113.6290	0.000	1	113.1444	0.754	16	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5,6]C[5]Zr)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	113.3268	0.705	4	113.3268	0.496	4	113.1444	0.754	16	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	112.7963	1.170	4	112.7963	1.369	4	113.1444	0.754	16	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CCHH)(H)2	113.3858	0.761	6	113.3858	0.579	6	113.1444	0.754	16	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	C(C[5]N[5]O[5]H)(CCHH)2(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)(H)2	111.8750	0.000	1	111.8750	0.000	1	113.1444	0.754	16	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:O-1:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CC[5]CO)(CF3)(F)2	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(O)	C(CC[5]CO)(CF3)(F)2	C(CC[5]CO)(CF3)(F)2	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)(H)2	C(C[6]C[6]N[6]H)(CCHH)2(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)(H)2	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	C(NC[6]CuH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	113.2590	0.000	1	113.2590	0.000	1	112.3190	1.918	8	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	C(NC[6]HH)(CCHH)2(H)	C(CCHN)(CHHN)(H)2	C(CCHN)(CH3)(H)2	113.7620	0.899	2	113.7620	0.809	2	112.3190	1.918	8	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NPdCC)(CCHH)2(H)	C(CCHH)(CCHN)(H)2	C(CCHN)2(H)2	C(NPdCC)(CCHH)2(H)	C(CCHH)(CCHN)(H)2	C(CCHN)2(H)2	110.4920	0.045	2	110.4920	0.002	2	112.3190	1.918	8	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(NPdCC)(CCHH)2(H)	C(CC[6]HH)(CCHN)(H)2	C(CN[6]CH)(CCHN)(H)2	C(NPdCC)(CCHH)2(H)	C(CC[6]HH)(CCHN)(H)2	C(CN[6]CH)(CCHN)(H)2	112.2617	0.663	3	112.2617	0.440	3	112.3190	1.918	8	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHN)(H)2	C(N[6]C[6]2Pd)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	C(CN[6]CH)(CCHN)(H)2	109.9240	0.214	3	109.9240	0.046	3	109.9240	0.046	3	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(NCuCH)(H)2	C(CN[6]CH)(CCCH)(H)2	C(N[6]C[6]2Cu)(CCHH)(CHHN)(H)	C(CN[6]CH)(NCuCH)(H)2	C(CN[6]CH)(CCCH)(H)2	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHO)(H)2	C(CCHP)(CHHP)(H)2	C(PC[6a]2Pd)(CCHH)2(H)	C(CCHP)(CHHO)(H)2	C(CCHP)(CHHP)(H)2	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(CHHO)(H)2	C(PC[6a]2Pd)(CCHH)(CHHP)(H)	C(PC[6a]2Pd)(CCHP)(H)2	C(CCHP)(CHHO)(H)2	110.4180	0.000	1	110.4180	0.000	1	110.4180	0.000	1	113.0619	13.162	242	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OH)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OH)(H)	112.1137	1.048	7	112.1137	1.097	7	112.3687	1.374	12	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(OC)(H)	111.2370	0.219	2	111.2370	0.048	2	112.3687	1.374	12	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(CCHH)(OC)(H)	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(H)2	C(CCCH)(CCHH)(OC)(H)	113.6990	0.000	1	113.6990	0.000	1	112.3687	1.374	12	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OSi)(H)	113.7300	0.000	1	113.7300	0.000	1	112.3687	1.374	12	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OSi)(H)	C(CC[6a]HO)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)2(OSi)(H)	113.7260	0.000	1	113.7260	0.000	1	112.3687	1.374	12	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:O-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(H)(O)	C(CCCH)(CHHO)(OH)(H)	112.1630	0.000	1	112.1630	0.000	1	112.1630	0.000	1	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C(CC[5,5]HH)(CCCH)(OC)(H)	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	112.2106	1.449	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(NCH)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)2(NCH)(H)	111.4130	0.000	1	111.4130	0.000	1	111.4130	0.000	1	114.4490	18.435	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(CCHO)(CCC)(H)	C(CC[5]HH)(CCCH)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(CCHO)(CCC)(H)	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	114.4490	18.435	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:3:2:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:O-2:	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(CCHH)(CCH)(OH)	C(CC[5]HH)(CCCO)(CH3)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C(CCCH)(CCHH)(CCH)(OH)	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:F-1:	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(F)	C(CCCF)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(F)	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CC[5]CH)(CCCH)(H)2	C(CCCH)2(CH3)(H)	112.0080	0.605	3	112.0080	0.366	3	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(H)	112.9362	3.422	18	112.9362	11.709	18	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	112.3315	1.504	8	112.3315	2.262	8	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CH3)2(H)	112.6475	2.074	10	112.6475	4.301	10	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CC[3]HH)(CCCH)(H)2	C(CCCH)(CH3)2(H)	113.6630	0.000	1	113.6630	0.000	1	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CH3)2(H)	113.4140	0.000	1	113.4140	0.000	1	112.7093	6.483	41	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(C[6]C[6]O[6]H)(CCCH)(H)2	C(CCCH)(CH3)2(H)	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(NH3)(H)2	C(CCHN)2(NH3)(H)	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3,5]CH)(CH3)2(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CC[3,5]CH)(CCHH)(H)2	C(CC[3,5]CH)(CH3)2(H)	113.2760	0.000	1	113.2760	0.000	1	113.2760	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CC[5]CH)(CCHH)(H)2	C(CC[5]CH)(CH3)2(H)	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	C(CC[5]CH)(CH3)2(H)	112.7720	0.000	1	112.7720	0.000	1	112.7720	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	110.8790	0.000	1	110.8790	0.000	1	110.2933	2.068	7	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CC[6]CH)(CCHH)(H)2	C(CC[6]CH)(CH3)2(H)	110.1957	1.550	6	110.1957	2.402	6	110.2933	2.068	7	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NLi2C)(CCCH)(CHHN)(H)	C(NLiCC)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(NLi2C)(CCCH)(CHHN)(H)	C(NLiCC)(CCHN)(H)2	C(CCHN)(CH3)2(H)	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	112.3535	6.099	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(OH)	113.5957	0.919	4	113.5957	0.844	4	113.2578	1.204	5	112.3744	1.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)2(OH)	111.9060	0.000	1	111.9060	0.000	1	113.2578	1.204	5	112.3744	1.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C[3,5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	C(CCCH)(CH3)2(OH)	111.4513	0.487	4	111.4513	0.237	4	111.4513	0.237	4	112.3744	1.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C(CCCH)(CH3)2(OH)	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	112.3744	1.485	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)3	C(CCHH)2(CC3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CH3)3	112.8830	0.392	13	112.8830	0.153	13	112.9569	0.360	27	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)2(CC3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(CH3)3	C(CCHH)2(CC3)(H)	C(CCCH)(CHHN)(H)2	C(CCCH)(CH3)3	113.1021	0.636	11	113.1021	0.405	11	112.9569	0.360	27	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(CH3)3	C(CC[6]HH)(CCHH)(CC3)(H)	C(CCCH)(CHHS)(H)2	C(CCCH)(CH3)3	113.2310	1.271	2	113.2310	1.616	2	112.9569	0.360	27	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(CN[6]HH)(CCCH)(H)2	C(CCCH)(CH3)3	C(CC[6]HH)(CCHH)(CC3)(H)	C(CN[6]HH)(CCCH)(H)2	C(CCCH)(CH3)3	111.7730	0.000	1	111.7730	0.000	1	112.9569	0.360	27	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(CH3)3	C(CC[6]HH)(CCHH)(CC3)(H)	C(C[6]C[6a]C[6]2)(CCCH)(H)2	C(CCCH)(CH3)3	112.1270	1.037	3	112.1270	1.075	3	112.1270	1.075	3	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:N-4:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	C(CCHN)(CH3)3	C(CHHP)(CC3)(NH3)(H)	C(PC[6a]2O)(CCHN)(H)2	C(CCHN)(CH3)3	113.2040	0.000	1	113.2040	0.000	1	113.2040	0.000	1	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC[5]CH)(CH3)(H)2	C(CC[5]CH)(CH3)3	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	112.9106	0.456	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(Br)	C(CBrCC)(CCHH)(OC)(H)	C(CBrCC)(H)3	C(CCHO)(CH3)2(Br)	C(CBrCC)(CCHH)(OC)(H)	C(CBrCC)(H)3	111.4790	0.585	2	111.4790	0.343	2	111.7817	0.446	3	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CBrHH)(OH)(H)	C(CBrCC)(H)3	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CBrHH)(OH)(H)	C(CBrCC)(H)3	112.3870	0.000	1	112.3870	0.000	1	111.7817	0.446	3	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHN)(NS)(H)	C(CClCC)(H)3	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHN)(NS)(H)	C(CClCC)(H)3	112.2850	3.504	2	112.2850	12.281	2	112.2850	12.281	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CClCC)(H)3	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CClCC)(H)3	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(F)	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCCF)(H)3	C(CCHO)(CH3)2(F)	C(CC[6a]HN)(CCCF)(OH)(H)	C(CCCF)(H)3	113.6730	0.808	4	113.6730	0.653	4	113.6730	0.653	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(H)3	111.6860	0.956	2	111.6860	0.914	2	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NC)(H)	C(CCCH)(H)3	110.7413	0.866	4	110.7413	0.749	4	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NC)(H)	C(CCCH)(H)3	111.7328	1.535	22	111.7328	2.356	22	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NS)(H)	C(CCCH)(H)3	111.7350	0.829	6	111.7350	0.688	6	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NC)(H)	C(CCCH)(H)3	111.6765	0.033	2	111.6765	0.001	2	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCCH)(H)3	112.1145	2.835	2	112.1145	8.036	2	111.6434	1.839	38	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.4540	0.000	2	111.4540	0.000	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	110.5400	0.000	1	110.5400	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	110.0870	0.000	1	110.0870	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	112.1040	0.000	2	112.1040	0.000	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(H)3	113.0527	2.977	3	113.0527	8.864	3	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.7136	1.381	8	111.7136	1.908	8	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	110.8960	1.082	11	110.8960	1.171	11	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(H)3	111.0750	0.000	1	111.0750	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(H)3	110.0420	0.000	1	110.0420	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	110.6850	1.626	2	110.6850	2.645	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	111.4930	0.000	1	111.4930	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.6413	1.551	10	111.6413	2.405	10	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.0623	1.988	9	111.0623	3.951	9	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCCH)(H)3	109.9377	1.093	4	109.9377	1.194	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(CCCH)(H)3	109.1120	0.000	1	109.1120	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CCCH)(H)3	114.0020	0.000	1	114.0020	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	112.5720	0.000	1	112.5720	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	113.3770	0.000	1	113.3770	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CCHS)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	112.2645	0.432	2	112.2645	0.187	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CB[5]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CB[5]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	111.0410	0.403	2	111.0410	0.162	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CBrCC)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CBrCC)(CCCH)(OC)(H)	C(CCCH)(H)3	111.8390	1.812	2	111.8390	3.282	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CC3)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CC3)(OC)(H)	C(CCCH)(H)3	111.3435	1.648	2	111.3435	2.717	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCCN)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCCN)(OSi)(H)	C(CCCH)(H)3	112.0495	1.532	2	112.0495	2.348	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	112.3653	1.019	6	112.3653	1.039	6	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	111.2210	0.508	2	111.2210	0.258	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OC)(H)	C(CCCH)(H)3	111.8945	2.616	2	111.8945	6.841	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(H)3	110.7490	1.662	2	110.7490	2.761	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(H)3	111.5715	0.859	2	111.5715	0.738	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)(CHHS)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)(CHHS)(OH)(H)	C(CCCH)(H)3	111.0775	0.751	4	111.0775	0.564	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.6702	1.060	22	111.6702	1.123	22	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.6751	1.285	18	111.6751	1.650	18	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[3]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[3]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	111.6895	1.415	2	111.6895	2.002	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	112.4123	3.066	4	112.4123	9.401	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[4]CC)(CCCH)(OH)(H)	C(CCCH)(H)3	112.4235	2.378	2	112.4235	5.655	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[6]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[6]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	110.9700	0.042	2	110.9700	0.002	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[6a]2H)(CCCH)(OC)(H)	C(CCCH)(H)3	113.3325	0.521	2	113.3325	0.272	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CC[6a]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	111.0465	0.869	2	111.0465	0.755	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CN[5]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CN[5]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	111.8547	0.950	4	111.8547	0.903	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(CCCH)(H)3	111.8450	1.591	2	111.8450	2.531	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	113.4190	0.000	1	113.4190	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	C(CCCH)(H)3	111.8140	0.768	4	111.8140	0.589	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	115.1650	0.000	1	115.1650	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	C(CCCH)(H)3	110.9605	0.045	2	110.9605	0.002	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.7010	0.000	1	111.7010	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	112.4760	0.000	1	112.4760	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	112.4660	1.663	5	112.4660	2.766	5	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	109.7680	0.000	2	109.7680	0.000	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	111.9660	0.000	1	111.9660	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(H)3	108.8395	0.047	2	108.8395	0.002	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(H)3	111.5665	0.888	4	111.5665	0.788	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	112.0780	0.904	7	112.0780	0.817	7	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(H)3	110.8035	1.614	13	110.8035	2.605	13	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(H)3	112.7970	0.285	3	112.7970	0.081	3	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	112.0250	0.000	1	112.0250	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(H)3	112.2500	0.216	2	112.2500	0.047	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCCH)(H)3	112.0820	0.571	3	112.0820	0.326	3	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	111.1021	1.222	28	111.1021	1.494	28	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	111.0669	1.418	50	111.0669	2.012	50	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(H)3	113.5453	2.085	3	113.5453	4.347	3	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	108.7720	0.390	4	108.7720	0.152	4	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCCH)(H)3	112.3220	0.000	1	112.3220	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCCH)(H)3	109.0900	0.137	2	109.0900	0.019	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(H)3	110.2910	0.000	1	110.2910	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCCH)(H)3	112.8060	0.000	1	112.8060	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CCHO)(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)(H)3	109.7940	0.907	2	109.7940	0.822	2	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	111.2460	0.000	1	111.2460	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(H)3	112.2640	0.000	1	112.2640	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(H)3	112.0390	0.000	1	112.0390	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)(H)3	113.5620	0.000	1	113.5620	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(H)3	C(CC[6a]SiH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCCH)(H)3	111.9520	0.000	1	111.9520	0.000	1	111.4171	2.140	298	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	113.8405	1.039	2	113.8405	1.079	2	111.7882	3.501	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(H)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	C(C[3]B[5]C[3]N[3])(CCCH)(OH)(H)	C(CCCH)(H)3	111.1830	3.005	2	111.1830	9.031	2	111.7882	3.501	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(CCCH)(H)3	111.4405	2.467	2	111.4405	6.087	2	111.7882	3.501	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]2O)(CCCH)(OH)(H)	C(CCCH)(H)3	110.9150	0.109	2	110.9150	0.012	2	111.7882	3.501	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[3]HO)(CH3)2(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	C(CCCH)(H)3	111.5620	2.068	2	111.5620	4.275	2	111.7882	3.501	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3x6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CCCH)(H)3	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CCCH)(H)3	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4,5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,5]HO)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[4,5]HO)(CH3)2(H)	C(C[4,5]C[4,5]C[4]N[5])(CCCH)(OH)(H)	C(CCCH)(H)3	111.0025	2.996	2	111.0025	8.976	2	111.0025	8.976	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[4,6]HO)(CH3)2(H)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[4,6]HO)(CH3)2(H)	C(C[4,6]C[4,6]C[5,6]N[4])(CCCH)(OH)(H)	C(CCCH)(H)3	111.1080	4.591	2	111.1080	21.073	2	111.1080	21.073	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(H)3	109.4790	0.000	1	109.4790	0.000	1	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	110.8945	2.349	4	110.8945	5.519	4	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	110.7965	0.397	2	110.7965	0.157	2	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C(CCCH)(H)3	111.0493	1.281	8	111.0493	1.640	8	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(H)3	110.4635	2.230	2	110.4635	4.971	2	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[5]HO)(CH3)2(H)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C(CCCH)(H)3	112.7350	4.250	2	112.7350	18.060	2	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	113.1710	0.000	1	113.1710	0.000	1	111.1306	3.403	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(H)3	111.8600	0.000	1	111.8600	0.000	1	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	C(CCCH)(H)3	111.1125	0.743	2	111.1125	0.552	2	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)(H)3	111.4960	1.854	4	111.4960	3.438	4	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	C(CCCH)(H)3	111.5525	0.924	4	111.5525	0.854	4	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CH3)2(H)	C(C[6]C[6]N[6]H)(CCCH)(OH)(H)	C(CCCH)(H)3	111.2053	1.129	8	111.2053	1.275	8	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CCCH)(H)3	111.0200	0.000	1	111.0200	0.000	1	111.3470	1.224	20	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CHOP)(CH3)2(H)	C(PC[6a]OO)(CCCH)(OH)(H)	C(CCCH)(H)3	C(CHOP)(CH3)2(H)	C(PC[6a]OO)(CCCH)(OH)(H)	C(CCCH)(H)3	111.3965	2.377	2	111.3965	5.648	2	111.3965	5.648	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CCHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CC[3]CH)(H)3	113.0600	0.000	1	113.0600	0.000	1	111.7640	3.359	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CHHO)(OC)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CHHO)(OC)(H)	C(CC[3]CH)(H)3	110.4680	0.000	1	110.4680	0.000	1	111.7640	3.359	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C(CC[3]CH)(H)3	107.0100	0.000	1	107.0100	0.000	1	108.9513	1.774	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C(CC[3]CH)(H)3	109.5983	0.385	3	109.5983	0.148	3	108.9513	1.774	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC[5,6]CH)(H)3	112.3670	0.106	2	112.3670	0.011	2	112.2791	0.246	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[5,6]CH)(H)3	112.2571	0.559	8	112.2571	0.312	8	112.2791	0.246	10	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C(CC[3]CH)(CC[5]CH)(OC)(H)	C(CC[5]CH)(H)3	117.3170	0.000	1	117.3170	0.000	1	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHH)(OH)(H)	C(CC[5]CH)(H)3	110.9468	0.507	4	110.9468	0.257	4	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCHO)(OH)(H)	C(CC[5]CH)(H)3	110.2810	0.000	1	110.2810	0.000	1	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C(CC[5]CH)(CC[5]HH)(OH)(H)	C(CC[5]CH)(H)3	111.2774	0.590	9	111.2774	0.348	9	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OC)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OC)(H)	C(CC[5]CH)(H)3	112.6030	0.000	1	112.6030	0.000	1	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[5]CH)(CCCH)(OH)(H)	C(CC[5]CH)(H)3	112.7140	0.923	2	112.7140	0.853	2	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C(CC[6a]CH)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	111.2010	0.000	1	111.2010	0.000	1	111.6902	2.498	19	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OC)(H)	C(CC[5]CH)(H)3	109.5940	0.215	2	109.5940	0.046	2	110.9790	2.581	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	112.2520	0.000	1	112.2520	0.000	1	110.9790	2.581	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]2H)(CC[5]CH)(OH)(H)	C(CC[5]CH)(H)3	112.4760	0.000	1	112.4760	0.000	1	110.9790	2.581	4	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OC)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCHH)(OC)(H)	C(CC[6]CH)(H)3	109.5910	0.000	1	109.5910	0.000	1	111.6570	2.048	6	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CH3)(OH)(H)	C(CC[6]CH)(H)3	112.5540	0.000	1	112.5540	0.000	1	111.6570	2.048	6	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CC[6]CH)(H)3	111.3503	0.509	3	111.3503	0.259	3	111.6570	2.048	6	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]S[6]2H)(CCHO)(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CC[6]CH)(H)3	113.7460	0.000	1	113.7460	0.000	1	111.6570	2.048	6	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CC[6]HO)(CH3)(H)	C(C[6]C[6]O[6]H)(CC[6]CH)(OH)(H)	C(CC[6]CH)(H)3	110.9910	0.000	1	110.9910	0.000	1	111.4780	0.474	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(CC[6]CH)(H)3	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(CC[6]CH)(H)3	111.9650	0.000	1	111.9650	0.000	1	111.4780	0.474	2	111.4550	2.269	451	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(OH)(H)2	111.8420	0.000	1	111.8420	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(OC)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(OC)(H)2	110.2710	0.000	1	110.2710	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(OH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(OH)(H)2	109.0200	0.000	1	109.0200	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(OH)(H)2	110.4550	0.000	1	110.4550	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCCO)(OSi)(H)	C(CCCH)(OC)(H)2	114.4830	0.124	2	114.4830	0.015	2	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(OSi)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(OSi)(H)2	113.5640	0.000	1	113.5640	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(OH)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(OH)(H)2	111.6230	0.000	1	111.6230	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(OC)(H)2	112.7530	0.000	2	112.7530	0.000	2	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCCH)(OC)(H)2	C(CCHO)(CHHO)(CH3)(H)	C(CC[3]CH)(CCCH)(OC)(H)	C(CCCH)(OC)(H)2	111.1640	0.000	1	111.1640	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(OC)(H)2	111.6880	0.000	1	111.6880	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(OC)(H)2	108.6180	0.000	1	108.6180	0.000	1	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(OC)(H)2	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(OC)(H)2	109.5480	0.481	2	109.5480	0.231	2	111.4542	3.598	15	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	C(CC[5]HO)(CHHO)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(OH)(H)2	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CCCH)(OC)(H)2	C(CC[6]HO)(CHHO)(CH3)(H)	C(C[6]C[6]2S)(CCCH)(OH)(H)	C(CCCH)(OC)(H)2	112.0020	0.000	1	112.0020	0.000	1	112.0020	0.000	1	111.4437	3.200	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCO)(H)2	111.2170	0.000	1	111.2170	0.000	1	111.3340	0.160	3	112.1975	3.707	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(COO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(COO)(H)2	111.0060	0.000	1	111.0060	0.000	1	111.3340	0.160	3	112.1975	3.707	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCC)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCC)(H)2	111.7790	0.000	1	111.7790	0.000	1	111.3340	0.160	3	112.1975	3.707	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(NCS)(H)2	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(NCS)(H)2	115.9390	0.000	1	115.9390	0.000	1	112.7156	5.513	5	112.1975	3.707	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:N-3:H-1:H-1:	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	C(CCCH)(NCC)(H)2	C(CCHO)(CHHN)(CH3)(H)	C(CCCH)(CHHN)(OC)(H)	C(CCCH)(NCC)(H)2	111.9098	1.738	4	111.9098	3.021	4	112.7156	5.513	5	112.1975	3.707	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCH)(OC)(H)	110.7240	0.000	1	110.7240	0.000	1	112.0059	2.202	8	112.0059	2.202	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCH)(OC)(H)	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CCH)(OC)(H)	109.1190	0.000	1	109.1190	0.000	1	112.0059	2.202	8	112.0059	2.202	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCH)(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCH)(OH)(H)	112.7960	0.888	4	112.7960	0.789	4	112.0059	2.202	8	112.0059	2.202	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCH)(OSi)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)(CCH)(OSi)(H)	112.5100	0.252	2	112.5100	0.063	2	112.0059	2.202	8	112.0059	2.202	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:C-3:H-1:	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(CCH)(CCO)(H)	C(CC[5]HO)(CCCH)(CH3)(H)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C(CCCH)(CCH)(CCO)(H)	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:Br-1:	C-4:C-4:O-2:H-1:	C-4:C-4:Cl-1:H-1:	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CBrHH)(OH)(H)	C(CBrCC)(CCHH)(Cl)(H)	C(CClCH)(CCHO)(CH3)(Br)	C(CBrCC)(CBrHH)(OH)(H)	C(CBrCC)(CCHH)(Cl)(H)	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:Cl-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CClCC)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(Cl)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C(CClCC)(CCHH)(H)2	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	111.2720	0.000	2	111.2720	0.000	2	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)(CH3)(H)2	108.9100	2.524	2	108.9100	6.372	2	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCCO)(OH)(H)	C(CCCH)2(H)2	110.4750	0.000	1	110.4750	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(H)2	111.9630	2.666	2	111.9630	7.106	2	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CHHO)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CHHO)(H)2	111.7325	0.098	2	111.7325	0.010	2	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)2(H)2	109.4180	0.000	1	109.4180	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHH)(H)2	115.4600	1.859	11	115.4600	3.457	11	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	110.9760	0.000	1	110.9760	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)(CCHH)(H)2	112.7440	1.700	2	112.7440	2.890	2	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)(CH3)(OH)(H)	C(CCCH)(CH3)(H)2	111.6600	0.000	1	111.6600	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)2(H)2	112.7875	1.390	4	112.7875	1.932	4	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[5]HO)(CCCH)(OC)(H)	C(CCCH)(CCHH)(H)2	115.9147	2.032	4	115.9147	4.127	4	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6]HO)(CCCH)(OH)(H)	C(CC[6]HH)(CCCH)(H)2	111.4140	0.000	1	111.4140	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]C[6]H)(CCCH)(OC)(H)	C(CC[6]HH)(CCCH)(H)2	108.3560	0.000	1	108.3560	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCCH)2(H)2	C(CCHH)(CCHO)(CH3)(H)	C(CC[6a]HH)(CCCH)(OH)(H)	C(CCCH)2(H)2	111.4100	0.000	1	111.4100	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCCH)(CCHH)(H)2	119.0370	0.000	1	119.0370	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHO)(CHHO)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CCHH)(H)2	115.9250	0.000	1	115.9250	0.000	1	113.3364	8.302	38	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:H-1:H-1:	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CCCH)(SiC3)(H)2	C(CC[5,5]HH)(CSiHH)(CCHO)(H)	C(CC[5,5]HH)(CCCH)(OC)(H)	C(CCCH)(SiC3)(H)2	114.1150	0.000	1	114.1150	0.000	1	112.8330	3.287	2	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:Si-4:H-1:H-1:	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(SiC3)(H)2	C(CC[6a]HO)(CSiHH)(CCHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(SiC3)(H)2	111.5510	0.000	1	111.5510	0.000	1	112.8330	3.287	2	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HH)(CCCH)(H)2	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CC[3]HH)(CCCH)(H)2	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CCCH)(CH3)(H)2	C(CC[3x6]HN)(CCHH)(CH3)(H)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CCCH)(CH3)(H)2	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(CH3)(H)2	C(CC[5]HO)(CCHH)(CH3)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C(CCCH)(CH3)(H)2	111.3227	0.936	4	111.3227	0.876	4	111.3227	0.876	4	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)(CCHH)(H)2	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	112.9923	7.321	49	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)2(OH)(H)	113.5230	0.127	2	113.5230	0.016	2	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(OC)(H)	112.5940	0.000	1	112.5940	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CH3)(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CH3)(OC)(H)	112.8180	0.000	1	112.8180	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)2(OC)(H)	110.6440	0.000	1	110.6440	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CHHS)(OH)(H)	110.0215	0.422	2	110.0215	0.178	2	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)2(OH)(H)	111.8417	1.918	4	111.8417	3.680	4	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)2(OSi)(H)	113.1810	0.000	1	113.1810	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OC)(H)	112.9990	0.000	1	112.9990	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OH)(H)	115.3770	0.578	4	115.3770	0.335	4	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OSi)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CCHH)(OSi)(H)	C(CCCH)2(OSi)(H)	114.1020	0.259	2	114.1020	0.067	2	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)2(OC)(H)	113.5750	0.000	1	113.5750	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)(CH3)(OC)(H)	C(CCCH)2(OH)(H)	113.2170	0.000	1	113.2170	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OC)(H)	C(CCCH)2(OH)(H)	110.4594	1.244	9	110.4594	1.547	9	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)2(OH)(H)	C(CCHO)2(CH3)(H)	C(CCCH)2(OH)(H)	C(CCCH)2(OH)(H)	112.2543	1.760	13	112.2543	3.096	13	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CC[5]CC)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	114.7742	0.521	4	114.7742	0.271	4	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCCH)(CHHS)(OH)(H)	C(CCHO)2(CH3)(H)	C(CC[5]HH)(CCCH)(OH)(H)	C(CCCH)(CHHS)(OH)(H)	110.4390	0.000	1	110.4390	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CC[6]CC)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	113.1095	0.105	2	113.1095	0.011	2	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(CHHO)(OH)(H)	C(CCHO)2(CH3)(H)	C(CC[6]CH)(CCCH)(OH)(H)	C(CCCH)(CHHO)(OH)(H)	112.4040	0.000	1	112.4040	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	C(CCHO)2(CH3)(H)	C(CC[6a]CH)(CCCH)(OC)(H)	C(CCCH)2(OC)(H)	112.3050	0.000	1	112.3050	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(OC)(H)	117.0200	0.000	1	117.0200	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	C(CCHO)2(CHHO)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCCH)(CCHO)(OC)(H)	115.0100	0.000	1	115.0100	0.000	1	112.5765	4.026	54	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CC[3]HH)(CCCH)(OC)(H)	109.0200	0.000	1	109.0200	0.000	1	111.2403	3.788	3	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)2(OH)(H)	C(CC[3]HO)(CCHO)(CH3)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	C(CCCH)2(OH)(H)	112.3505	0.425	2	112.3505	0.181	2	111.2403	3.788	3	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)2(OSi)(H)	C(CC[6]HO)(CCHH)(CCHO)(H)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	C(CCCH)2(OSi)(H)	113.3320	0.000	1	113.3320	0.000	1	111.8830	4.199	2	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CC[6]HO)(CCHO)(CH3)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(CCHH)(OH)(H)	110.4340	0.000	1	110.4340	0.000	1	111.8830	4.199	2	112.4851	3.982	59	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHO)(OH)(H)	C(CCCH)(CH3)2(H)	110.5080	0.000	1	110.5080	0.000	1	113.4280	6.370	4	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CH3)2(H)	112.2020	0.000	1	112.2020	0.000	1	113.4280	6.370	4	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	115.0080	0.000	1	115.0080	0.000	1	113.4280	6.370	4	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CC[3]HH)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	115.9940	0.000	1	115.9940	0.000	1	113.4280	6.370	4	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	C(CCCH)(CH3)2(H)	111.6080	0.000	1	111.6080	0.000	1	111.6860	0.012	2	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	C(CCCH)(CH3)2(H)	111.7640	0.000	1	111.7640	0.000	1	111.6860	0.012	2	112.8473	4.634	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:1:	4:4:4:2:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CH3)2(OC)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CCHN)(OH)(H)	C(CCCH)(CH3)2(OC)	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	111.5670	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CCCH)(H)3	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CCCH)(H)3	112.4400	1.011	4	112.4400	1.021	4	112.4400	1.021	4	112.4400	1.021	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	C(CCCH)(CCHH)(H)2	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	C(CCCH)(CCHH)(H)2	110.0730	0.000	1	110.0730	0.000	1	111.8065	6.010	2	111.8065	6.010	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:2:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-2:C-2:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	C(CC[5a]2H)(CCCH)(H)2	C(CCHH)2(CC3)(H)	C(CC[5a]HH)(CCCH)(CN)2	C(CC[5a]2H)(CCCH)(H)2	113.5400	0.000	1	113.5400	0.000	1	111.8065	6.010	2	111.8065	6.010	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:Cl-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHO)(NHS)(H)	C(CClCC)(H)3	C(CCHN)(CH3)2(Cl)	C(CClCC)(CCHO)(NHS)(H)	C(CClCC)(H)3	112.8951	1.406	8	112.8951	1.976	8	112.8951	1.976	8	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:F-1:	C-4:H-1:H-1:H-1:	C(CCCF)(CH3)2(H)	C(CCCH)(CH3)(CNO)(F)	C(CCCH)(H)3	C(CCCF)(CH3)2(H)	C(CCCH)(CH3)(CNO)(F)	C(CCCH)(H)3	110.9250	2.978	2	110.9250	8.870	2	110.9250	8.870	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(CH3)(CCN)(H)	C(CCCH)(H)3	C(CB[5]CH)(CCCH)(CH3)(H)	C(CCCH)(CH3)(CCN)(H)	C(CCCH)(H)3	110.4420	0.000	1	110.4420	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(H)3	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(H)3	112.2330	0.846	2	112.2330	0.715	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(H)3	112.7930	0.000	1	112.7930	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(H)3	113.0330	0.000	1	113.0330	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)(H)3	108.7490	0.000	1	108.7490	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(H)3	111.6153	1.142	12	111.6153	1.303	12	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(CCO)(H)	C(CCCH)(H)3	112.1670	1.474	2	112.1670	2.172	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)(COO)(H)	C(CCCH)(H)3	110.7840	0.507	4	110.7840	0.257	4	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHN)(CCC)(H)	C(CCCH)(H)3	113.5165	4.900	2	113.5165	24.006	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(H)3	111.7575	1.735	2	111.7575	3.009	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CCS)(H)	C(CCCH)(H)3	111.2135	0.767	2	111.2135	0.589	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(CCH)(H)	C(CCCH)(H)3	111.4460	2.087	46	111.4460	4.356	46	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(COO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CH3)(COO)(H)	C(CCCH)(H)3	110.4348	1.373	4	110.4348	1.884	4	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)2(CHN)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)2(CHN)(H)	C(CCCH)(H)3	110.6955	2.419	2	110.6955	5.852	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[5,6]HH)(CCCH)(CCO)(H)	C(CCCH)(H)3	110.8230	0.658	2	110.8230	0.432	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[5]CH)(CCCH)(CCC)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[5]CH)(CCCH)(CCC)(H)	C(CCCH)(H)3	112.7850	1.918	2	112.7850	3.677	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CCCH)(CHO)(H)	C(CCCH)(H)3	112.0615	2.494	2	112.0615	6.220	2	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(H)3	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(H)3	113.0180	0.000	1	113.0180	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(H)3	C(CC[5]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHO)(CCC)(H)	C(CCCH)(H)3	109.8290	0.000	1	109.8290	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CC[6a]HO)(CCCH)(CH3)(H)	C(CC[6]HO)(CCCH)(CCH)(H)	C(CCCH)(H)3	109.7010	0.000	1	109.7010	0.000	1	111.4598	3.419	91	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(F)3	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(F)3	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(H)3	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(H)3	112.9840	0.000	1	112.9840	0.000	1	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CCCH)(H)3	111.2260	0.000	1	111.2260	0.000	1	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(H)3	113.6280	1.073	2	113.6280	1.152	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(H)3	110.0045	0.470	2	110.0045	0.221	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	111.7470	0.000	1	111.7470	0.000	1	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)2(NCO)(H)	C(CCCH)(H)3	113.0860	0.000	1	113.0860	0.000	1	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCCH)(H)3	110.5335	0.425	2	110.5335	0.181	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CBrHH)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CBrHH)(CCCH)(NCH)(H)	C(CCCH)(H)3	110.9820	1.353	2	110.9820	1.832	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CC3)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CC3)(NCH)(H)	C(CCCH)(H)3	112.0062	3.132	4	112.0062	9.808	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCCO)(NHS)(H)	C(CCCH)(H)3	113.7173	1.666	4	113.7173	2.775	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(H)3	111.8771	1.870	39	111.8771	3.496	39	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHH)(NCO)(H)	C(CCCH)(H)3	112.1425	2.710	4	112.1425	7.346	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHN)(NFeC)(H)	C(CCCH)(H)3	110.1887	2.325	4	110.1887	5.405	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(H)3	111.8968	1.217	6	111.8968	1.482	6	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NCH)(H)	C(CCCH)(H)3	111.4793	1.226	4	111.4793	1.504	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CCHS)(NHS)(H)	C(CCCH)(H)3	112.8287	1.429	8	112.8287	2.042	8	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(H)3	112.7253	2.769	6	112.7253	7.667	6	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCC)(H)	C(CCCH)(H)3	110.7278	0.138	4	110.7278	0.019	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(H)3	111.6982	1.542	16	111.6982	2.379	16	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCS)(H)	C(CCCH)(H)3	111.8758	1.117	6	111.8758	1.249	6	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NHS)(H)	C(CCCH)(H)3	111.4375	1.037	4	111.4375	1.075	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCH)(H)	C(CCCH)(H)3	111.5383	1.454	20	111.5383	2.114	20	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NCO)(H)	C(CCCH)(H)3	110.4765	0.405	2	110.4765	0.164	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NFeC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NFeC)(H)	C(CCCH)(H)3	110.7960	0.844	4	110.7960	0.713	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHH)(H)	C(CCCH)(H)3	111.5570	0.116	2	111.5570	0.013	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NHS)(H)	C(CCCH)(H)3	111.0880	0.535	2	111.0880	0.286	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NNiC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NNiC)(H)	C(CCCH)(H)3	111.7635	1.973	8	111.7635	3.892	8	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NPdC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NPdC)(H)	C(CCCH)(H)3	109.5823	2.430	8	109.5823	5.904	8	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHP)(NFeC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHP)(NFeC)(H)	C(CCCH)(H)3	110.5757	0.227	4	110.5757	0.052	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCC)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NCC)(H)	C(CCCH)(H)3	112.7720	1.959	4	112.7720	3.839	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	111.2223	1.430	40	111.2223	2.046	40	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NCO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NCO)(H)	C(CCCH)(H)3	112.3175	0.310	2	112.3175	0.096	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NHS)(H)	C(CCCH)(H)3	110.7880	2.316	2	110.7880	5.366	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)2(NOO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)2(NOO)(H)	C(CCCH)(H)3	113.1810	2.543	2	113.1810	6.466	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[5]HH)(CCCH)(NTiS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[5]HH)(CCCH)(NTiS)(H)	C(CCCH)(H)3	111.7775	3.457	2	111.7775	11.951	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]CH)(CCCH)(NHN)(H)	C(CCCH)(H)3	112.4235	1.210	2	112.4235	1.464	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]HN)(CCCH)(NCH)(H)	C(CCCH)(H)3	112.9055	0.134	2	112.9055	0.018	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]HO)(CCCH)(NHS)(H)	C(CCCH)(H)3	112.3407	1.080	4	112.3407	1.166	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]N[5a]H)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.6570	2.742	2	111.6570	7.519	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CClHH)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CClHH)(CCCH)(NCH)(H)	C(CCCH)(H)3	110.7070	0.619	2	110.7070	0.384	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NHS)(H)	C(CCCH)(H)3	112.0975	1.637	2	112.0975	2.680	2	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	C(CC[5a]HN)(CCHN)(CH3)(H)	C(CCCH)2(NCH)(H)	C(CCCH)(H)3	111.9733	1.295	4	111.9733	1.678	4	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NHS)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NHS)(H)	C(CCCH)(H)3	111.0720	0.000	1	111.0720	0.000	1	111.6339	2.969	242	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(H)	C(CCCH)2(OZn2)(H)	C(CCCH)(H)3	C(CCHO)(CH3)2(H)	C(CCCH)2(OZn2)(H)	C(CCCH)(H)3	111.7828	0.959	12	111.7828	0.919	12	111.7828	0.919	12	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)2(H)	C(CN[5]HH)(CCCH)(SRhC)(H)	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	C(CN[5]HH)(CCCH)(SRhC)(H)	C(CCCH)(H)3	113.9075	2.604	2	113.9075	6.782	2	113.9075	6.782	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(H)3	112.7290	1.335	2	112.7290	1.782	2	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(H)3	111.2614	1.334	5	111.2614	1.779	5	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(H)3	110.9512	1.012	30	110.9512	1.024	30	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(CNO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(CNO)(H)	C(CCCH)(H)3	112.1185	1.027	2	112.1185	1.056	2	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(H)3	112.0064	1.111	10	112.0064	1.234	10	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(H)3	111.7403	0.802	12	111.7403	0.643	12	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(H)3	111.8343	0.985	58	111.8343	0.970	58	111.6124	1.139	119	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)2(H)	C(CCCH)(PO3)(NCH)(H)	C(CCCH)(H)3	C(CHNP)(CH3)2(H)	C(CCCH)(PO3)(NCH)(H)	C(CCCH)(H)3	111.8205	2.674	2	111.8205	7.148	2	111.8205	7.148	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	C(CCCH)(H)3	111.6535	2.297	2	111.6535	5.278	2	111.6535	5.278	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HN)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CCCH)(H)3	C(CC[3]HN)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	C(CCCH)(H)3	111.0905	0.278	2	111.0905	0.077	2	111.0905	0.077	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HN)(CH3)2(H)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CCCH)(H)3	C(CC[4]HN)(CH3)2(H)	C(C[4]C[4]2H)(CCCH)(NCH)(H)	C(CCCH)(H)3	111.7460	1.809	2	111.7460	3.272	2	111.7460	3.272	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C(CCCH)(H)3	112.3010	2.687	2	112.3010	7.220	2	112.7350	2.701	4	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C(CCCH)(H)3	113.1690	0.362	2	113.1690	0.131	2	112.7350	2.701	4	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CCCH)(F)3	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CCCH)(F)3	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	C(CCCH)(H)3	114.9030	0.000	1	114.9030	0.000	1	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(H)3	110.1197	1.019	3	110.1197	1.039	3	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(H)3	109.2985	4.014	2	109.2985	16.114	2	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NCuHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NCuHH)(CCCH)(COO)(H)	C(CCCH)(H)3	112.0635	0.909	2	112.0635	0.826	2	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NFeHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NFeHH)(CCCH)(COO)(H)	C(CCCH)(H)3	111.4864	1.246	12	111.4864	1.552	12	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NNiCH)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NNiCH)(CCCH)(CNO)(H)	C(CCCH)(H)3	112.5387	1.831	4	112.5387	3.352	4	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(CNO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(CNO)(H)	C(CCCH)(H)3	111.3713	0.876	8	111.3713	0.768	8	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NNiHH)(CCCH)(COO)(H)	C(CCCH)(H)3	111.7495	0.344	2	111.7495	0.119	2	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NReHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NReHH)(CCCH)(COO)(H)	C(CCCH)(H)3	111.3875	0.841	2	111.3875	0.707	2	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NRuHH)(CCCH)(COO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NRuHH)(CCCH)(COO)(H)	C(CCCH)(H)3	111.0083	1.196	4	111.0083	1.430	4	111.4314	2.299	40	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(H)3	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(H)3	113.4047	0.086	3	113.4047	0.007	3	113.4047	0.007	3	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	C(CCHS)(H)3	C(CCHN)(SCOO)(CH3)(H)	C(CCHS)(CC3)(NHS)(H)	C(CCHS)(H)3	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C(CC[5,6]CH)(CCHH)(CCC)(H)	C(CC[5,6]CH)(H)3	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)(CCH)(H)	C(CC[5]CH)(H)3	113.0195	0.493	2	113.0195	0.243	2	113.0195	0.243	2	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CH3)(COO)(H)	C(CC[6]CH)(H)3	C(C[6]C[6]N[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CH3)(COO)(H)	C(CC[6]CH)(H)3	111.2370	0.000	1	111.2370	0.000	1	111.2370	0.000	1	111.6399	2.551	538	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CCH)(H)	C(CCCH)(CCO)(H)2	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(NCC)(H)2	C(CCCH)(CHHN)(CH3)(H)	C(CCCH)(CH3)(CCO)(H)	C(CCCH)(NCC)(H)2	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCCH)(CNO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCCH)(CNO)(H)2	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCCH)(NOO)(H)2	C(CCHH)(CCHN)(CHHN)(H)	C(CC[6a]HH)(CCCH)(NCH)(H)	C(CCCH)(NOO)(H)2	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CCCH)(CCO)(H)2	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CCCH)(CCO)(H)2	113.3920	0.000	1	113.3920	0.000	1	113.3920	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	C(CCHH)(CCHN)(NCCH)(H)	C(CC[6a]HH)(CCHN)(NCC)(H)	C(CCHN)(COO)(H)2	114.4000	0.000	1	114.4000	0.000	1	114.4000	0.000	1	112.7960	1.299	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-2:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCC)(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CHHO)(CCH)(H)	C(CCCH)(CCC)(OH)(H)	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	112.0730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(COO)2(H)	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(COO)2(H)	109.9150	0.000	1	109.9150	0.000	1	110.3445	0.369	2	110.3445	0.369	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:3:3:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(COO)2(H)	C(CCCH)(CCHN)(CH3)(H)	C(CCCH)(CH3)(NCH)(H)	C(CCCH)(COO)2(H)	110.7740	0.000	1	110.7740	0.000	1	110.3445	0.369	2	110.3445	0.369	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:B-3:H-1:	C-4:C-4:H-1:H-1:	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CCCH)(CH3)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(CCCH)(CH3)(H)2	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:B-3:H-1:	Si-4:C-4:H-1:H-1:	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(SiCCO)(CCCH)(H)2	C(CSiHH)(CBCH)(CCHH)(H)	C(CC[6a]CH)(CCCH)(BCC)(H)	C(SiCCO)(CCCH)(H)2	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CCHH)(H)2	116.0475	0.173	2	116.0475	0.030	2	113.6942	5.024	5	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CCHH)(CCC)(H)	C(CCCH)(CH3)(H)2	111.6180	0.252	2	111.6180	0.063	2	113.6942	5.024	5	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(CH3)(H)2	C(CC[6a]HH)(CCCH)(CCHH)(H)	C(CC[6a]HH)(CCCH)(CNO)(H)	C(CCCH)(CH3)(H)2	113.1400	0.000	1	113.1400	0.000	1	113.6942	5.024	5	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)(CCHN)(H)	C(CCCH)(CCHH)(NCH)(H)	C(CCCH)(CH3)(H)2	111.1880	0.000	1	111.1880	0.000	1	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CF3)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(CCHH)(H)2	112.8030	0.000	1	112.8030	0.000	1	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCC)(H)	C(CCCH)(CH3)(H)2	110.2530	0.000	1	110.2530	0.000	1	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CCHO)(NCH)(H)	C(CCCH)(CH3)(H)2	110.3375	0.046	2	110.3375	0.002	2	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(CHHN)(NCH)(H)	C(CCCH)(CH3)(H)2	110.3610	1.137	2	110.3610	1.293	2	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CSeHH)(CCCH)(NHS)(H)	C(CCCH)(CH3)(H)2	114.3895	0.508	2	114.3895	0.258	2	111.6022	3.351	9	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NCHH)(COO)(H)	C(CCCH)(CH3)(H)2	110.6990	0.260	2	110.6990	0.068	2	111.5835	1.428	39	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(CNO)(H)	C(CCCH)(CH3)(H)2	111.2470	1.258	5	111.2470	1.583	5	111.5835	1.428	39	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(CH3)(H)2	111.6378	1.198	30	111.6378	1.435	30	111.5835	1.428	39	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)2(H)2	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)2(H)2	112.4945	1.542	2	112.4945	2.378	2	111.5835	1.428	39	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	C-4:P-4:H-1:H-1:	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(PO3)(H)2	C(CCHH)(CCHN)(CHHP)(H)	C(CCCH)(NH3)(COO)(H)	C(CCCH)(PO3)(H)2	111.5210	0.228	2	111.5210	0.052	2	111.5210	0.052	2	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	C(CC[5]HN)(CCHH)(CF3)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C(CCCH)(CH3)(H)2	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CCCH)(CCHH)(H)2	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CCCH)(CCHH)(H)2	114.5730	0.000	1	114.5730	0.000	1	112.4615	8.917	2	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CCCH)(CH3)(H)2	C(CC[6]CH)(CCHH)2(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	C(CCCH)(CH3)(H)2	110.3500	0.000	1	110.3500	0.000	1	112.4615	8.917	2	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NC[5]HH)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	108.0100	0.000	1	108.0100	0.000	1	110.9032	4.474	4	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NCoHH)(CCCH)(COO)(H)	C(CCCH)(CH3)(H)2	111.8677	1.063	3	111.8677	1.130	3	110.9032	4.474	4	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CPtCH)(CCHH)(CCHP)(H)	C(PC[6a]3)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	C(CPtCH)(CCHH)(CCHP)(H)	C(PC[6a]3)(CCCH)(COO)(H)	C(CCCH)(CCHH)(H)2	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CCCH)(CCHO)(H)2	C(CSiCH)(CCHH)2(H)	C(SiC[6a]CC)(CCCH)(CCH)(H)	C(CCCH)(CCHO)(H)2	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	C(CCHH)(CCHN)(H)2	C(CCCH)(CCHH)(NH3)(H)	C(CCHH)(CCHN)(COO)(H)	C(CCHH)(CCHN)(H)2	115.5365	0.172	2	115.5365	0.030	2	115.5365	0.030	2	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	C(CC[5]CH)(CH3)(H)2	C(C[5]C[5]2Fe)(CC[5]CH)(CCHH)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CCO)(H)	C(CC[5]CH)(CH3)(H)2	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	111.8301	3.260	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)2(OH)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CCH)(H)	C(CCCH)2(OH)(H)	114.0390	0.000	1	114.0390	0.000	1	114.0390	0.000	1	110.8050	6.192	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(OC)(H)	108.0630	0.000	1	108.0630	0.000	1	109.7270	2.316	3	110.8050	6.192	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-3:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	C(CCHO)(CCHS)(CH3)(H)	C(SC[6a]OO)(CCCH)(CCH)(H)	C(CCCH)(CCHH)(OH)(H)	110.5590	0.692	2	110.5590	0.478	2	109.7270	2.316	3	110.8050	6.192	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CC[6a]HH)(CCCH)(COO)(NPd)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CC[6a]HH)(CCCH)(COO)(NPd)	C(CCCH)(H)3	111.9520	0.782	2	111.9520	0.612	2	111.9520	0.612	2	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(H)3	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(H)3	112.2220	2.920	2	112.2220	8.528	2	111.7971	1.706	7	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(H)3	111.8005	0.045	2	111.8005	0.002	2	111.7971	1.706	7	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CC[5]HH)(CCCH)(COO)(OH)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CC[5]HH)(CCCH)(COO)(OH)	C(CCCH)(H)3	111.4945	1.047	2	111.4945	1.097	2	111.7971	1.706	7	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CCH)(OH)	C(CCCH)(H)3	C(CC[5]HH)(CCCO)(CH3)(H)	C(CCCH)(CCHH)(CCH)(OH)	C(CCCH)(H)3	111.5460	0.000	1	111.5460	0.000	1	111.7971	1.706	7	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(CN)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(NCH)(CN)	C(CCCH)(H)3	111.9430	0.642	2	111.9430	0.412	2	111.9430	0.412	2	111.8518	1.132	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-3:C-2:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(CCHH)(NCH)(CC)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCH)(CCHH)(NCH)(CC)	C(CCCH)(OH)(H)2	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	113.7180	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHH)(H)2	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHH)(H)2	111.9480	0.000	1	111.9480	0.000	1	113.4790	4.688	2	113.4790	4.688	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHO)(H)2	C(CCCO)(CCHH)2(H)	C(CCCH)(CCHH)(COO)(OH)	C(CCCH)(CCHO)(H)2	115.0100	0.000	1	115.0100	0.000	1	113.4790	4.688	2	113.4790	4.688	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:2:	4:4:3:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:H-1:	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CH3)(CCC)(H)	C(CCCH)(CCCO)(CH3)(H)	C(CCCH)(CH3)(COO)(OH)	C(CCCH)(CH3)(CCC)(H)	112.0875	0.740	2	112.0875	0.548	2	112.0875	0.548	2	112.0875	0.548	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-3:C-4:H-1:H-1:	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	C(CN[5]O)(CCCH)(H)2	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	C(CN[5]O)(CCCH)(H)2	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:F-1:F-1:F-1:	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	C(CCCH)(F)3	C(CCCN)(CCHH)(CF3)(H)	C(CCCH)(CH3)(COO)(NOO)	C(CCCH)(F)3	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CCHH)(CNO)(NCH)	C(CCCH)(H)3	113.1565	1.682	2	113.1565	2.830	2	112.6822	0.611	24	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NCH)	C(CCCH)(H)3	112.6523	0.775	18	112.6523	0.600	18	112.6822	0.611	24	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NHH)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(CNO)(NHH)	C(CCCH)(H)3	112.7880	0.509	2	112.7880	0.259	2	112.6822	0.611	24	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-3:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(COO)(NCH)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CH3)(COO)(NCH)	C(CCCH)(H)3	112.3710	0.263	2	112.3710	0.069	2	112.6822	0.611	24	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:3:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-3:S-3:	C-4:H-1:H-1:H-1:	C(CCSS)(CH3)2(H)	C(CCCH)2(SRh2)2	C(CCCH)(H)3	C(CCSS)(CH3)2(H)	C(CCCH)2(SRh2)2	C(CCCH)(H)3	113.1145	1.380	4	113.1145	1.906	4	113.1145	1.906	4	112.7419	0.729	29	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	112.8974	1.252	8	112.8974	1.568	8	112.4336	1.919	12	112.4336	1.919	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.4170	0.000	1	110.4170	0.000	1	112.4336	1.919	12	112.4336	1.919	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	112.8760	0.000	1	112.8760	0.000	1	112.4336	1.919	12	112.4336	1.919	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	112.3320	0.000	1	112.3320	0.000	1	112.4336	1.919	12	112.4336	1.919	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	110.3990	0.000	1	110.3990	0.000	1	112.4336	1.919	12	112.4336	1.919	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:F-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(F)	C(CCCF)(CCHH)2(H)	C(CCCF)(H)3	C(CCCH)(CH3)2(F)	C(CCCF)(CCHH)2(H)	C(CCCF)(H)3	113.3195	1.563	2	113.3195	2.444	2	113.3195	2.444	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)2(CCCH)(H)	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	C(CClHH)2(CCCH)(H)	C(CClHH)2(CCCH)(H)	C(CCCH)(Cl)(H)2	112.0375	2.255	4	112.0375	5.083	4	112.0375	5.083	4	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(H)3	114.2810	0.167	4	114.2810	0.028	4	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	113.2500	0.000	1	113.2500	0.000	1	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(H)3	111.9008	2.006	38	111.9008	4.025	38	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(H)3	112.0635	1.517	2	112.0635	2.301	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CCHO)2(H)	C(CCCH)(H)3	111.9830	1.767	4	111.9830	3.124	4	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)(CHHS)2(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)(CHHS)2(H)	C(CCCH)(H)3	112.5575	1.151	6	112.5575	1.324	6	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)2(CCHH)(H)	C(CCCH)(H)3	112.6760	1.085	2	112.6760	1.177	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CCCH)2(CH3)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CCCH)2(CH3)(H)	C(CCCH)(H)3	112.1813	1.959	6	112.1813	3.837	6	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.9920	2.855	2	111.9920	8.153	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[3]HO)(CCCH)(CCHO)(H)	C(CCCH)(H)3	112.1310	1.041	2	112.1310	1.083	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(H)3	112.1230	0.284	2	112.1230	0.081	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[6a]HN)(CC[6]HH)(CCCH)(H)	C(CCCH)(H)3	112.8605	0.967	2	112.8605	0.934	2	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CCCH)(CH3)2(H)	C(CC[6a]HO)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.8577	1.306	4	111.8577	1.705	4	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(H)3	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(H)3	114.9510	0.000	1	114.9510	0.000	1	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(H)3	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(H)3	112.2503	1.459	3	112.2503	2.128	3	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CH3)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)2(CH3)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(H)3	112.4003	1.420	3	112.4003	2.017	3	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	112.7421	0.997	8	112.7421	0.993	8	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(H)3	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(H)3	112.6160	0.000	1	112.6160	0.000	1	112.2808	2.807	91	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:O-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)2(CH3)(H)	C(CCCH)(H)2(O)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)2(CH3)(H)	C(CCCH)(H)2(O)	111.5060	0.950	3	111.5060	0.903	3	111.5060	0.903	3	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(O)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(O)	C(CCCH)(H)3	110.7620	7.109	2	110.7620	50.541	2	110.7620	50.541	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NH3)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CH3)(NH3)(H)	C(CCCH)(H)3	112.1020	1.619	4	112.1020	2.622	4	111.5697	1.740	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCHH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHN)(NCHH)(H)	C(CCCH)(H)3	110.9020	0.076	2	110.9020	0.006	2	111.5697	1.740	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NH3)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CCCH)(CHHO)(NH3)(H)	C(CCCH)(H)3	111.1085	2.272	2	111.1085	5.162	2	111.5697	1.740	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CN[6]HH)(CCCH)(NH3)(H)	C(CCCH)(H)3	111.6340	0.412	2	111.6340	0.169	2	111.5697	1.740	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(CC[6a]2N)(NRuHH)(CCCH)(H)	C(CCCH)(H)3	112.0255	3.304	2	112.0255	10.918	2	112.0255	10.918	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	C(CCCH)(H)3	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	C(CCCH)(H)3	113.6300	0.000	1	113.6300	0.000	1	113.5280	6.148	3	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHS)(CH3)2(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCCH)(H)3	C(CCHS)(CH3)2(H)	C(CC[6a]HN)(SC[6a]OO)(CCCH)(H)	C(CCCH)(H)3	113.4770	3.504	2	113.4770	12.281	2	113.5280	6.148	3	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3,5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[3,5]CH)(CH3)2(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[3,5]CH)(CH3)2(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.7210	0.017	2	111.7210	0.000	2	111.7210	0.000	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[3]CH)(CH3)2(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	111.8560	1.332	2	111.8560	1.775	2	111.8560	1.775	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5,6,6]C[5]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	111.6990	3.545	2	111.6990	12.570	2	112.0230	6.179	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CCCH)(H)3	112.2745	3.767	2	112.2745	14.188	2	112.0230	6.179	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CCCH)(H)3	111.5973	2.798	4	111.5973	7.830	4	112.0230	6.179	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(CCCH)(H)3	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C(CCCH)(H)3	112.9470	1.611	2	112.9470	2.595	2	112.0230	6.179	10	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(H)3	110.5780	0.000	1	110.5780	0.000	1	113.0684	7.185	15	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	C(C[6]C[5,6,6]C[6]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	112.8910	3.588	2	112.8910	12.873	2	113.0684	7.185	15	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	C(CC[6]CH)(CH3)2(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CCHH)(H)	C(CCCH)(H)3	113.3055	2.710	12	113.3055	7.343	12	113.0684	7.185	15	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(H)3	109.2100	0.000	1	109.2100	0.000	1	112.0947	6.567	3	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NLi2C)(CCCH)(CHHN)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NLi2C)(CCCH)(CHHN)(H)	C(CCCH)(H)3	113.5370	0.808	2	113.5370	0.652	2	112.0947	6.567	3	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(O)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(O)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	108.7670	6.240	2	108.7670	38.931	2	108.7670	38.931	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	112.6131	0.991	20	112.6131	0.982	20	112.6131	0.982	20	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	C(CCCH)(CH3)(NH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(H)3	115.5825	0.138	2	115.5825	0.019	2	115.5825	0.019	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:S-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	C(CCHS)(H)3	C(CCCH)(SNOO)(CH3)(H)	C(CCHH)(CCHS)(CH3)(H)	C(CCHS)(H)3	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(CH3)2(H)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	C(CC[3]CH)(CH3)2(H)	C(CC[3]CH)(H)3	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)2(H)	C(CC[5]CH)(H)3	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C(CC[5]CH)(CH3)2(H)	C(CC[5]CH)(H)3	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CC[6]CH)(CCHH)(CH3)(H)	C(CC[6]CH)(H)3	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCHH)(CCHN)(CH3)(H)	C(CCHN)(H)3	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(CCHN)(H)3	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(NC[6a]PdH)(CCHN)(CH3)(H)	C(CCHN)(H)3	114.7405	0.364	2	114.7405	0.133	2	114.7405	0.133	2	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(PC[6a]2Cr)(CCHP)(CH3)(H)	C(CCHP)(H)3	112.6091	1.558	8	112.6091	2.429	8	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(PC[6a]2Mo)(CCHP)(CH3)(H)	C(CCHP)(H)3	112.3925	0.395	2	112.3925	0.156	2	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(PC[6a]2Ni)(CCHP)(CH3)(H)	C(CCHP)(H)3	113.8930	0.672	2	113.8930	0.451	2	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(PC[6a]2Pd)(CCHP)(CH3)(H)	C(CCHP)(H)3	114.0150	1.084	6	114.0150	1.175	6	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(PC[6a]2Pt)(CCHP)(CH3)(H)	C(CCHP)(H)3	112.8125	1.279	2	112.8125	1.636	2	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	P-4:C-4:C-4:H-1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(CCHP)(H)3	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(PC[6a]2Ru)(CCHP)(CH3)(H)	C(CCHP)(H)3	111.4955	2.306	16	111.4955	5.316	16	112.4191	3.964	36	112.3548	4.020	216	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:F-1:	C-4:C-2:H-1:H-1:	C(CCCF)(CCHH)2(H)	C(CCCH)(CH3)2(F)	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	C(CCCH)(CH3)2(F)	C(CCCH)(CC)(H)2	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:H-1:H-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CC)(H)2	112.9158	0.512	4	112.9158	0.262	4	112.9158	0.262	4	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(OH)(H)2	111.2092	0.520	4	111.2092	0.271	4	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(OH)(H)2	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHH)2(H)	C(CCCH)(OH)(H)2	109.7840	0.000	1	109.7840	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(OS)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(CH3)2(H)	C(CCCH)(OS)(H)2	111.8580	0.000	1	111.8580	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(OH)(H)2	112.2450	0.000	1	112.2450	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OC)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OC)(H)2	112.5110	0.000	1	112.5110	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	113.7300	0.000	1	113.7300	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	C(CC[6a]HO)(CCCH)(CHHO)(H)	C(CC[6a]HH)(CCCH)(CHHO)(H)	C(CCCH)(OH)(H)2	113.3770	0.000	1	113.3770	0.000	1	111.8342	1.464	10	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	C(CCCH)(CHHO)(NH3)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(OH)(H)2	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	112.0553	1.472	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCO)(H)2	112.7755	0.070	2	112.7755	0.005	2	112.4988	0.104	4	112.4206	2.047	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCC)(H)2	112.2220	0.000	2	112.2220	0.000	2	112.4988	0.104	4	112.4206	2.047	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:S-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	C(CCCH)(CCH)(H)2	C(CCHH)(CCHS)(CH3)(H)	C(CCCH)(SNOO)(CH3)(H)	C(CCCH)(CCH)(H)2	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	112.4206	2.047	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(COO)(H)2	C(CC[6]CH)(CCHH)(CH3)(H)	C(C[6]C[6,6]C[6]H)(CCCH)(CH3)(H)	C(CCCH)(COO)(H)2	114.2930	0.000	1	114.2930	0.000	1	114.2930	0.000	1	112.4206	2.047	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	C(CCCH)(CHHN)(NCHH)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(NCH)(H)2	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	112.4206	2.047	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(H)2	111.2150	0.000	2	111.2150	0.000	2	111.9925	0.843	4	112.0592	0.654	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CCHO)(H)2	112.5350	0.000	1	112.5350	0.000	1	111.9925	0.843	4	112.0592	0.654	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(CCHH)2(H)	C(CCCH)(CHHO)(CH3)(H)	C(CCCH)(CH3)(H)2	113.0050	0.000	1	113.0050	0.000	1	111.9925	0.843	4	112.0592	0.654	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHH)(H)2	C(CCHH)(CCHN)(CH3)(H)	C(NC[6a]HH)(CCCH)(CH3)(H)	C(CCCH)(CCHH)(H)2	112.3260	0.000	1	112.3260	0.000	1	112.3260	0.000	1	112.0592	0.654	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(OC)(H)	113.0260	0.000	2	113.0260	0.000	2	112.6993	0.411	8	112.6993	0.411	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)2(OSi)(H)	113.4980	0.000	2	113.4980	0.000	2	112.6993	0.411	8	112.6993	0.411	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)(CCHH)(OC)(H)	111.9640	0.000	2	111.9640	0.000	2	112.6993	0.411	8	112.6993	0.411	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	C(CCCH)(CCHO)(CH3)(H)	C(CCCH)(CCHH)(CCHO)(H)	C(CCCH)2(OSi)(H)	112.3090	0.000	2	112.3090	0.000	2	112.6993	0.411	8	112.6993	0.411	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CH3)2(H)	C(CCCH)2(CH3)(H)	C(CCCH)(CCHH)(CHHO)(H)	C(CCCH)(CH3)2(H)	113.3427	1.314	3	113.3427	1.727	3	113.3427	1.727	3	113.8172	1.292	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)2(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	C(CCHN)(CHHN)(NH3)(H)	113.7960	0.000	1	113.7960	0.000	1	113.7960	0.000	1	113.8172	1.292	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CCCH)(H)	C(CC[5]CH)(CH3)2(H)	114.5395	1.135	2	114.5395	1.288	2	114.5395	1.288	2	113.8172	1.292	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CCHH)(CC3)(H)	C(CCCH)(CH3)3	113.2790	0.185	2	113.2790	0.034	2	113.2790	0.034	2	120.9873	35.751	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	125.1350	0.103	2	125.1350	0.011	2	124.8415	0.155	4	120.9873	35.751	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC[5]CH)(CH3)3	124.5480	0.332	2	124.5480	0.110	2	124.8415	0.155	4	120.9873	35.751	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-2:	C-3:C-4:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	C(CN[5a]O)(CCCH)(H)2	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	C(CN[5a]O)(CCCH)(H)2	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	113.9140	1.509	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(H)2	113.7023	0.457	3	113.7023	0.208	3	114.2410	1.300	4	113.9140	1.509	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(H)2	115.8570	0.000	1	115.8570	0.000	1	114.2410	1.300	4	113.9140	1.509	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CCHH)(CF3)(NC)	C(CCCH)(H)3	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(H)3	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(H)3	114.0785	1.452	2	114.0785	2.107	2	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CCCH)(H)3	113.0355	0.841	4	113.0355	0.707	4	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(OC)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)(CH3)2(OC)	C(CCCH)(H)3	113.3695	0.217	2	113.3695	0.047	2	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)2(CH3)(OC)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)2(CH3)(OC)	C(CCCH)(H)3	113.0605	0.193	2	113.0605	0.037	2	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(H)	C(CCCH)3(OBi)	C(CCCH)(H)3	C(CCCO)(CH3)2(H)	C(CCCH)3(OBi)	C(CCCH)(H)3	115.0138	1.495	18	115.0138	2.235	18	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CCCH)(H)3	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CCCH)(H)3	114.4873	0.239	3	114.4873	0.057	3	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCH)(H)3	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCH)(H)3	111.0480	0.000	1	111.0480	0.000	1	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCH)(H)3	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CCCH)(H)3	110.7880	0.020	2	110.7880	0.000	2	114.1028	2.937	34	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)2(OH)	C(CCCH)(H)3	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)2(OH)	C(CCCH)(H)3	113.5078	1.411	4	113.5078	1.991	4	113.5078	1.991	4	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(CH3)2(O)	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	112.0111	0.911	8	112.0111	0.830	8	112.0111	0.830	8	113.6250	3.164	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CH3)2(OC)	C(CCCH)(OH)(H)2	C(CCCO)(CCHO)(CHHO)(H)	C(CCCH)(CH3)2(OC)	C(CCCH)(OH)(H)2	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:2:2:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-2:O-2:H-1:	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCH)(CC)(OH)(H)	110.7310	0.133	2	110.7310	0.018	2	110.7310	0.018	2	110.7310	0.018	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CC[5]HH)(CCCH)(H)2	117.3350	0.238	2	117.3350	0.056	2	115.2458	7.109	4	115.2458	7.109	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(CH3)(H)2	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CCCH)(CH3)(H)2	113.1565	1.952	2	113.1565	3.812	2	115.2458	7.109	4	115.2458	7.109	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(H)3	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(H)3	114.5585	0.387	2	114.5585	0.150	2	113.3457	0.658	8	113.0166	1.309	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCH)(H)3	113.1880	0.119	2	113.1880	0.014	2	113.3457	0.658	8	113.0166	1.309	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCH)(H)3	C(CCCN)(CH3)2(H)	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCH)(H)3	112.8183	0.335	4	112.8183	0.112	4	113.3457	0.658	8	113.0166	1.309	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:H-1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CCCS)(CH3)2(H)	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCH)(H)3	C(CCCS)(CH3)2(H)	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCH)(H)3	111.7000	1.687	2	111.7000	2.846	2	111.7000	2.846	2	113.0166	1.309	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:N-3:	C-4:N-3:H-1:H-1:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	C(CCCH)(NOO)(H)2	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	C(CCCH)(NOO)(H)2	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:3:3:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(CH3)2(NOO)	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CC[5]CH)(CH3)2(NOO)	C(CC[5]CH)(COO)2(H)	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(CH3)(H)2	C(CCCN)(CCHH)(CH3)(H)	C(CCCH)(CF3)(CH3)(NHS)	C(CCCH)(CH3)(H)2	110.4280	0.458	2	110.4280	0.210	2	110.4280	0.210	2	111.0333	1.204	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	C(CCCH)2(H)2	C(CCHH)(CCNP)(CHHN)(H)	C(CCCH)(CH3)(PO3)(NOO)	C(CCCH)2(H)2	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	111.0333	1.204	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	C(CCCH)(H)3	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	C(CCCH)(H)3	115.0195	1.625	4	115.0195	2.640	4	114.8903	1.135	13	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	C(CCCH)(H)3	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	C(CCCH)(H)3	114.9570	0.801	8	114.9570	0.642	8	114.8903	1.135	13	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(CH3)3	C(CCCH)(H)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CCCH)(CH3)3	C(CCCH)(H)3	113.8400	0.000	1	113.8400	0.000	1	114.8903	1.135	13	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CCCH)(H)3	C(CC[5]CC)(CH3)2(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CCCH)(H)3	113.7365	0.705	4	113.7365	0.497	4	113.7365	0.497	4	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CSiCC)(CH3)2(H)	C(SiCCN)(CCCH)(CH3)2	C(CCCH)(H)3	C(CSiCC)(CH3)2(H)	C(SiCCN)(CCCH)(CH3)2	C(CCCH)(H)3	113.5045	0.456	2	113.5045	0.208	2	113.6930	0.732	6	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CSiCC)(CH3)2(H)	C(SiCCO)(CCCH)(CH3)2	C(CCCH)(H)3	C(CSiCC)(CH3)2(H)	C(SiCCO)(CCCH)(CH3)2	C(CCCH)(H)3	113.7873	1.056	4	113.7873	1.115	4	113.6930	0.732	6	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:N-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	C(CC3)(CH3)(NC3)(H)	C(CCHN)(CH3)3	C(CCHN)(H)3	115.7795	5.799	2	115.7795	33.628	2	115.7795	33.628	2	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(CH3)3	C(CC[5]CH)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC[5]CH)(CH3)3	C(CC[5]CH)(H)3	113.5320	0.968	5	113.5320	0.936	5	113.5320	0.936	5	114.3299	2.464	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	C(CCCH)(CCH)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	C(CCCH)(CCH)(H)2	110.6170	0.000	2	110.6170	0.000	2	110.6170	0.000	2	110.6170	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:3:3:1:	C[5]-4:C-4:C-4:H-1:	S-4:C-4:C-4:C-4:	C-4:C-3:C-3:H-1:	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CC[5]CH)(COO)2(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CC[5]CH)(COO)2(H)	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	C(CCCH)2(H)2	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	C(CCCH)2(H)2	115.5100	0.000	2	115.5100	0.000	2	115.5100	0.000	2	115.5100	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[3x3,4,3x5,14x6]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C(CCCH)(H)3	C(CC[3x3,4,3x5,14x6]HH)(CH3)2(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)(H)2	C(CCCH)(H)3	110.2670	2.459	8	110.2670	6.046	8	110.2670	6.046	8	110.8106	4.396	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(H)	C(PAlCrNN)(CCCH)(H)2	C(CCCH)(H)3	C(CHHP)(CH3)2(H)	C(PAlCrNN)(CCCH)(H)2	C(CCCH)(H)3	110.4340	1.075	2	110.4340	1.155	2	110.4340	1.155	2	110.8106	4.396	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)2(H)	C(SiTaO3)(CCCH)(H)2	C(CCCH)(H)3	C(CSiHH)(CH3)2(H)	C(SiTaO3)(CCCH)(H)2	C(CCCH)(H)3	111.6608	1.759	6	111.6608	3.095	6	111.6608	3.095	6	110.8106	4.396	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	5:4:2:1:	4:1:1:1:	C[3]-4:C-4:C-4:H-1:	C[3]-5:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(CC[3]CH)(H)3	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	C(C[3]H[3]2HO)(CC[3]CH)(OC)(H)	C(CC[3]CH)(H)3	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:1:	5:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(H)	C(NLi3C)(CCCH)(CHHO)(H)	C(CCCH)(H)3	C(CCHN)(CH3)2(H)	C(NLi3C)(CCCH)(CHHO)(H)	C(CCCH)(H)3	113.5435	1.554	4	113.5435	2.416	4	113.5435	2.416	4	113.5435	2.416	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OH)	C(NC[6])(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	C(NC[6])(CCCO)(H)2	C(CCCO)(H)3	111.2630	0.082	2	111.2630	0.007	2	111.2630	0.007	2	109.8920	5.642	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHS)(CH3)(OC)	C(SC[6a])(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CHHS)(CH3)(OC)	C(SC[6a])(CCCO)(H)2	C(CCCO)(H)3	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	109.8920	5.642	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCO)(H)3	109.1915	0.114	2	109.1915	0.013	2	110.4183	1.622	8	110.4183	1.622	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCO)(H)3	110.9800	0.000	1	110.9800	0.000	1	110.4183	1.622	8	110.4183	1.622	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCCO)(H)3	113.1710	0.000	1	113.1710	0.000	1	110.4183	1.622	8	110.4183	1.622	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CCCO)(H)3	110.2030	0.289	4	110.2030	0.083	4	110.4183	1.622	8	110.4183	1.622	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(OC[6])(CCCH)(CCCO)(H)	C(CCCH)(CCCO)(H)2	110.2550	0.646	2	110.2550	0.418	2	111.1485	1.851	4	111.1485	1.851	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	C(CC[6]CH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCH)(CCCO)(H)	C(CC[6]CH)(CCCO)(H)2	113.0270	0.000	1	113.0270	0.000	1	111.1485	1.851	4	111.1485	1.851	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(OC[6])(CCCO)(CCHH)(H)	C(CC[6]HH)(CCCO)(H)2	111.0570	0.000	1	111.0570	0.000	1	111.1485	1.851	4	111.1485	1.851	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OB)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(CH3)2(OB)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	112.4730	0.406	2	112.4730	0.165	2	112.4047	0.645	6	112.4047	0.645	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OH)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	C(OB[5])(CCCO)(CH3)2	C(CCCO)(H)3	113.0600	0.820	2	113.0600	0.673	2	112.4047	0.645	6	112.4047	0.645	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	2:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	O-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(ORe)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	C(CCCO)(CH3)2(ORe)	C(OP[5])(CCCO)(CH3)2	C(CCCO)(H)3	111.6810	0.687	2	111.6810	0.472	2	112.4047	0.645	6	112.4047	0.645	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:3:4:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]2)(CH3)2(CN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C(CC3)(H)3	C(CC[5a]C[6a]2)(CH3)2(CN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C(CC3)(H)3	113.1545	0.590	2	113.1545	0.349	2	113.1545	0.349	2	113.1545	0.349	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	3:3:4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(C[6a]C[6a]2)2(CCCO)(H)	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(CN)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	C(CC[6a]2H)(CH3)2(CN)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	109.8885	1.100	2	109.8885	1.209	2	109.8885	1.209	2	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]2H)(CH3)2(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CCCO)(H)3	111.4980	0.454	2	111.4980	0.206	2	111.7310	5.499	4	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]2H)2(CH3)(OH)	C(C[6a]C[6a]2)2(CCCO)(H)	C(CCCO)(H)3	111.9640	4.009	2	111.9640	16.074	2	111.7310	5.499	4	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]H)(CH3)2(OH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]N[5a]H)(CH3)2(OH)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(CCCO)(H)	C(CCCO)(H)3	109.2940	2.222	2	109.2940	4.936	2	109.2940	4.936	2	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N[5]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]2H)(CH3)2(SZn)	C(N[5]C[5]N[5])2(CCCS)(H)	C(CCCS)(H)3	C(CN[5]2H)(CH3)2(SZn)	C(N[5]C[5]N[5])2(CCCS)(H)	C(CCCS)(H)3	107.3164	0.599	8	107.3164	0.359	8	107.3164	0.359	8	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N[5a]-3:N[5a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]2H)(CH3)2(SZn)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C(CCCS)(H)3	C(CN[5a]2H)(CH3)2(SZn)	C(N[5a]C[5a]N[5a])2(CCCS)(H)	C(CCCS)(H)3	111.5480	3.414	4	111.5480	11.658	4	111.5480	11.658	4	109.5006	7.124	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:3:4:2:	4:1:1:1:	C-4:C-4:C-4:S-2:	C[5]-3:C[5]-3:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5]2O)(CH3)2(SS)	C(C[5]N[5]2)2(CCCS)(OC)	C(CCCS)(H)3	C(CC[5]2O)(CH3)2(SS)	C(C[5]N[5]2)2(CCCS)(OC)	C(CCCS)(H)3	112.2145	0.176	2	112.2145	0.031	2	112.2145	0.031	2	112.2145	0.031	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	3:4:1:1:	C[3x6]-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C(C[3x6]C[6,6]3)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	C(C[6a]C[6a]2)(CC[3x6]CO)(H)2	110.2875	0.095	2	110.2875	0.009	2	110.2875	0.009	2	110.3870	0.034	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C(C[5]C[5]N[5]H)(CC[6a]HH)2(OH)	C(C[6a]C[6a]2)(CC[5]CO)(H)2	C(C[6a]C[6a]2)(CC[5]CO)(H)2	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.3870	0.034	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OAl)	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OAl)	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	108.4119	1.272	8	108.4119	1.619	8	108.0645	1.889	14	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OZn)	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OZn)	C(CC[6a]N)(CCCO)(H)2	C(CCCO)(F)3	107.6013	1.481	6	107.6013	2.194	6	108.0645	1.889	14	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CCCO)(F)3	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CCCO)(F)3	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CF3)(CH3)(OH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C(CCCO)(H)3	111.7030	0.000	1	111.7030	0.000	1	110.8871	3.734	7	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OP)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OP)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	110.4055	2.258	2	110.4055	5.098	2	110.8871	3.734	7	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(ORu)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(ORu)	C(C[6]C[6]N[6])(CCCO)(H)2	C(CCCO)(H)3	110.9240	2.322	4	110.9240	5.390	4	110.8871	3.734	7	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(H)3	110.5140	0.000	1	110.5140	0.000	1	109.0745	1.057	4	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CCCO)(H)3	108.5947	0.451	3	108.5947	0.204	3	109.0745	1.057	4	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OGe)	C(NC[6a]C)(CCCO)(H)2	C(CCCO)(H)3	110.8552	2.449	12	110.8552	5.996	12	110.8552	5.996	12	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OAl)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OAl)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	109.7799	2.047	10	109.7799	4.191	10	109.4172	5.234	30	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OH)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OH)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	109.7330	2.671	12	109.7330	7.135	12	109.4172	5.234	30	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OPd)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OPd)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	109.3295	3.297	2	109.3295	10.872	2	109.4172	5.234	30	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(ORh)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(ORh)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	108.3845	2.780	2	108.3845	7.726	2	109.4172	5.234	30	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OZn)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OZn)	C(N[5]C[5]2)(CCCO)(H)2	C(CCCO)(H)3	108.1235	1.370	4	108.1235	1.878	4	109.4172	5.234	30	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(OH)	C(N[5a]N[5a]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[5a]HH)(CH3)2(OH)	C(N[5a]N[5a]2)(CCCO)(H)2	C(CCCO)(H)3	109.6997	2.713	4	109.6997	7.361	4	109.6997	7.361	4	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(OH)	C(N[6]C[6]2)(CCCO)(H)2	C(CCCO)(H)3	C(CN[6]HH)(CH3)2(OH)	C(N[6]C[6]2)(CCCO)(H)2	C(CCCO)(H)3	109.8100	2.005	2	109.8100	4.021	2	109.8100	4.021	2	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(OZr)	C(PC[6a]2)(CCCO)(H)2	C(CCCO)(H)3	C(CHHP)(CH3)2(OZr)	C(PC[6a]2)(CCCO)(H)2	C(CCCO)(H)3	110.5170	2.588	2	110.5170	6.698	2	110.5170	6.698	2	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	Se-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CSeHH)(CF3)2(OSn)	C(SeC[6a]Sn)(CCCO)(H)2	C(CCCO)(F)3	C(CSeHH)(CF3)2(OSn)	C(SeC[6a]Sn)(CCCO)(H)2	C(CCCO)(F)3	108.5120	2.037	4	108.5120	4.151	4	108.1380	3.256	6	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	Se-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CSeHH)(CF3)2(OZn)	C(SeC[6a]Zn)(CCCO)(H)2	C(CCCO)(F)3	C(CSeHH)(CF3)2(OZn)	C(SeC[6a]Zn)(CCCO)(H)2	C(CCCO)(F)3	107.3900	1.465	2	107.3900	2.147	2	108.1380	3.256	6	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCu)	C(NC[6]Cu)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SCu)	C(NC[6]Cu)(CCCS)(H)2	C(CCCS)(H)3	110.1570	1.922	2	110.1570	3.694	2	110.3923	5.038	8	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SS)	C(NC[6]H)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SS)	C(NC[6]H)(CCCS)(H)2	C(CCCS)(H)3	110.4707	2.507	6	110.4707	6.285	6	110.3923	5.038	8	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(SS)	C(N[5]C[5]2)(CCCS)(H)2	C(CCCS)(H)3	C(CN[5]HH)(CH3)2(SS)	C(N[5]C[5]2)(CCCS)(H)2	C(CCCS)(H)3	110.3030	2.765	4	110.3030	7.645	4	110.3030	7.645	4	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:P-4:O-2:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	C(CCOP)(H)3	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	C(CCOP)(H)3	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	109.6077	5.077	95	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CC[6a]HH)(CCCO)(H)2	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CC[6a]HH)(CCCO)(H)2	111.6605	0.261	2	111.6605	0.068	2	111.6605	0.068	2	111.7093	0.041	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	C(CC[6a]HH)(CCCO)(H)2	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	C(CC[6a]HH)(CCCO)(H)2	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	111.7093	0.041	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[5]O)(CCCO)(H)2	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CC[5]O)(CCCO)(H)2	C(CCCO)(CH3)2(H)	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	107.7410	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:4:4:4:	C-4:C-4:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CCCO)(CH3)3	C(CN[5]HH)(CCHH)(CC3)(OH)	C(N[5]C[5]N[5])(CCCO)(H)2	C(CCCO)(CH3)3	109.0875	0.936	2	109.0875	0.875	2	109.0875	0.875	2	109.1420	0.446	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:1:1:	4:4:4:4:	C-4:C-4:C-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	C(CCCO)(CH3)3	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(N[5a]C[5a]2)(CCCO)(H)2	C(CCCO)(CH3)3	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.1420	0.446	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	111.4870	0.000	1	111.4870	0.000	1	110.6907	2.390	3	108.6383	6.057	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	110.2925	1.957	2	110.2925	3.828	2	110.6907	2.390	3	108.6383	6.057	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(H)3	106.5860	0.340	3	106.5860	0.115	3	106.5860	0.115	3	108.6383	6.057	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CCHO)(CC3)(H)2	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	109.6877	5.587	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(CCHH)(H)2	110.7880	1.977	2	110.7880	3.909	2	110.7880	3.909	2	109.6877	5.587	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:4:3:2:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-3:O-2:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(CF3)(COO)(OH)	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CCCO)(CF3)(COO)(OH)	107.9600	0.622	2	107.9600	0.387	2	107.9600	0.387	2	107.9600	0.387	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HH)(CCCO)(CH3)(H)	116.9870	0.000	1	116.9870	0.000	1	116.2227	0.440	3	116.2227	0.440	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(OC)(H)	C(CC[6a]HO)(CCCO)(CH3)(H)	115.8405	0.063	2	115.8405	0.004	2	116.2227	0.440	3	116.2227	0.440	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	111.3010	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CC[6a]HH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCO)(CCO)(H)	C(CCCO)(H)3	109.9720	0.000	1	109.9720	0.000	1	110.5280	0.618	2	112.1970	4.453	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(H)3	111.0840	0.000	1	111.0840	0.000	1	110.5280	0.618	2	112.1970	4.453	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:3:1:	4:1:1:1:	C-4:S-4:C-4:C-2:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CCCS)(H)3	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CCCS)(H)3	113.3097	1.988	3	113.3097	3.954	3	113.3097	3.954	3	112.1970	4.453	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:3:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(OC)(H)2	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	112.1450	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(H)3	114.1270	0.000	1	114.1270	0.000	1	114.1270	0.000	1	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CCCO)(H)3	113.1690	0.000	1	113.1690	0.000	1	109.2773	14.536	3	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCO)(H)3	109.1140	0.000	1	109.1140	0.000	1	109.2773	14.536	3	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(H)3	105.5490	0.000	1	105.5490	0.000	1	109.2773	14.536	3	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(OH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CCCO)(H)3	C(CC[5]CH)(CH3)2(OH)	C(C[5]C[5]2)(CCCO)(CCHH)(H)	C(CCCO)(H)3	110.9575	0.693	4	110.9575	0.481	4	110.9575	0.481	4	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCO)(H)3	110.0200	0.000	1	110.0200	0.000	1	110.8747	2.557	9	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CCCO)(H)3	109.8200	0.000	1	109.8200	0.000	1	110.8747	2.557	9	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CCCO)(H)3	113.5460	1.284	2	113.5460	1.649	2	110.8747	2.557	9	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(CCCO)(H)3	C(CC[6a]CH)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[6a]HO)(CCCO)(H)	C(CCCO)(H)3	110.1880	0.290	5	110.1880	0.084	5	110.8747	2.557	9	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6]CC)(H)3	111.9000	0.000	1	111.9000	0.000	1	111.9000	0.000	1	110.8645	4.134	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:2:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(OC)(H)2	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(OC)(H)2	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CCH)(H)2	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CCH)(H)2	109.4945	1.835	2	109.4945	3.367	2	109.4945	3.367	2	109.4945	3.367	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CC[6]HH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]H)(CCCO)(CHHO)(H)	C(CC[6]HH)(CCCO)(H)2	112.0100	0.000	1	112.0100	0.000	1	110.4430	4.911	2	113.3932	9.154	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCCO)(H)2	C(CCCH)(CCHH)(CH3)(OH)	C(CN[6]O)(CCCO)(CH3)(H)	C(CCCH)(CCCO)(H)2	108.8760	0.000	1	108.8760	0.000	1	110.4430	4.911	2	113.3932	9.154	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCO)(CCHH)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CCCH)(CCCO)(H)	C(CCCO)(CCHH)(H)2	116.2680	0.000	1	116.2680	0.000	1	114.8683	4.917	4	113.3932	9.154	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[5]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[5]CH)(CCCO)(H)	C(CC[5]HH)(CCCO)(H)2	117.0360	0.000	1	117.0360	0.000	1	114.8683	4.917	4	113.3932	9.154	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6]HH)(CCCO)(H)2	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(C[6a]C[6a]2)(CC[6]CH)(CCCO)(H)	C(CC[6]HH)(CCCO)(H)2	113.0845	1.315	2	113.0845	1.728	2	114.8683	4.917	4	113.3932	9.154	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CCHH)(CH3)(H)	C(CCCH)2(CCHH)(OH)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CCHH)(CH3)(H)	110.3665	1.923	2	110.3665	3.696	2	111.1690	3.780	3	111.1690	3.780	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CH3)2(H)	C(CCCH)2(CH3)(OC)	C(CN[5]O)(CCCO)(CH3)(H)	C(CCCO)(CH3)2(H)	112.7740	0.000	1	112.7740	0.000	1	111.1690	3.780	3	111.1690	3.780	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC3)(H)3	110.9740	1.475	2	110.9740	2.176	2	110.9740	2.176	2	110.9740	2.176	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	3:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[5a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]CC)(CH3)2(CN)	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC3)(H)3	C(CC[5a]CC)(CH3)2(CN)	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC3)(H)3	112.7405	0.281	2	112.7405	0.079	2	112.7405	0.079	2	112.7405	0.079	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	110.3435	0.880	2	110.3435	0.775	2	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	109.6440	0.307	2	109.6440	0.094	2	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	108.3740	0.000	1	108.3740	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CC)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]CC)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	109.1240	0.000	1	109.1240	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]C[6a]2)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]C[6a]2)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	106.4280	0.000	1	106.4280	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	109.6870	0.000	1	109.6870	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]2H)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(H)3	108.8010	0.000	1	108.8010	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	108.6500	0.000	1	108.6500	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(H)3	109.9870	0.000	1	109.9870	0.000	1	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(H)3	109.5731	1.581	223	109.5731	2.500	223	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(H)3	110.7388	2.155	78	110.7388	4.646	78	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CV)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CV)	C(CC3)(H)3	C(CC3)(H)3	109.8077	0.629	6	109.8077	0.396	6	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CW)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CW)	C(CC3)(H)3	C(CC3)(H)3	109.0688	0.918	30	109.0688	0.843	30	109.7827	3.035	348	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(F)3	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(F)3	C(CCCN)(H)3	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(H)3	110.1203	1.693	3	110.1203	2.868	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(H)3	109.8140	0.663	2	109.8140	0.440	2	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCr)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NCr)	C(CCCN)(H)3	C(CCCN)(H)3	109.1130	0.949	2	109.1130	0.900	2	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	C(CCCN)(H)3	109.0180	1.503	2	109.0180	2.260	2	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NC)	C(CCCN)(H)3	C(CCCN)(H)3	110.9935	1.817	1312	110.9935	3.302	1312	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCo)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCo)	C(CCCN)(H)3	C(CCCN)(H)3	109.9580	0.558	3	109.9580	0.311	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NFe)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NFe)	C(CCCN)(H)3	C(CCCN)(H)3	110.4929	1.230	9	110.4929	1.514	9	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NH)	C(CCCN)(H)3	C(CCCN)(H)3	109.6967	1.937	3	109.6967	3.753	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NIr)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NIr)	C(CCCN)(H)3	C(CCCN)(H)3	108.2607	2.798	3	108.2607	7.830	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NMo)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NMo)	C(CCCN)(H)3	C(CCCN)(H)3	110.4470	1.584	103	110.4470	2.508	103	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NN)	C(CCCN)(H)3	C(CCCN)(H)3	110.7860	0.606	9	110.7860	0.367	9	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NNb)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NNb)	C(CCCN)(H)3	C(CCCN)(H)3	110.6916	0.675	5	110.6916	0.455	5	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NP)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NP)	C(CCCN)(H)3	C(CCCN)(H)3	108.9959	2.410	24	108.9959	5.810	24	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NRe)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NRe)	C(CCCN)(H)3	C(CCCN)(H)3	110.0035	1.095	6	110.0035	1.198	6	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NS)	C(CCCN)(H)3	C(CCCN)(H)3	109.6093	0.658	50	109.6093	0.433	50	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NSi)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NSi)	C(CCCN)(H)3	C(CCCN)(H)3	109.7793	1.032	3	109.7793	1.065	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NTa)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NTa)	C(CCCN)(H)3	C(CCCN)(H)3	109.3257	1.356	33	109.3257	1.840	33	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NTe)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NTe)	C(CCCN)(H)3	C(CCCN)(H)3	109.5730	0.704	3	109.5730	0.496	3	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NTi)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NTi)	C(CCCN)(H)3	C(CCCN)(H)3	109.5752	0.944	17	109.5752	0.891	17	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NV)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NV)	C(CCCN)(H)3	C(CCCN)(H)3	109.6090	1.377	20	109.6090	1.897	20	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NW)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NW)	C(CCCN)(H)3	C(CCCN)(H)3	110.2068	1.795	63	110.2068	3.223	63	110.7669	3.296	1675	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(Br)(H)2	C(CCCO)(H)3	C(CBrHH)(CCHO)(CH3)(OH)	C(CCCO)(Br)(H)2	C(CCCO)(H)3	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:Cl-1:	C-4:F-1:F-1:F-1:	C(CCl3)(CF3)2(OAl)	C(CCCO)(Cl)3	C(CCCO)(F)3	C(CCl3)(CF3)2(OAl)	C(CCCO)(Cl)3	C(CCCO)(F)3	110.5153	1.471	6	110.5153	2.164	6	110.5153	2.164	6	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:Cl-1:	C-4:H-1:H-1:H-1:	C(CCl3)(CH3)2(OC)	C(CCCO)(Cl)3	C(CCCO)(H)3	C(CCl3)(CH3)2(OC)	C(CCCO)(Cl)3	C(CCCO)(H)3	111.2589	0.571	8	111.2589	0.326	8	111.2589	0.326	8	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:Cl-1:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(Cl)2(H)	C(CCCO)(H)3	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(CCCO)(Cl)2(H)	C(CCCO)(H)3	111.2910	0.000	1	111.2910	0.000	1	111.2910	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC3)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CC3)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	105.8465	0.616	2	105.8465	0.379	2	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC3)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CC3)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	107.0820	0.000	1	107.0820	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OCo)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCCO)(CF3)2(OCo)	C(CCCO)(F)3	C(CCCO)(F)3	107.1202	0.259	4	107.1202	0.067	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OFe)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCCO)(CF3)2(OFe)	C(CCCO)(F)3	C(CCCO)(F)3	107.0125	0.211	2	107.0125	0.045	2	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCCO)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	106.7647	0.360	6	106.7647	0.130	6	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	109.3804	0.596	14	109.3804	0.355	14	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OC)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OC)	C(CCCO)(F)3	C(CCCO)(F)3	109.3770	0.305	2	109.3770	0.093	2	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OCu)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OCu)	C(CCCO)(F)3	C(CCCO)(F)3	108.1550	0.000	1	108.1550	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	110.1105	1.009	11	110.1105	1.018	11	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OPd)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OPd)	C(CCCO)(F)3	C(CCCO)(F)3	109.4830	0.000	1	109.4830	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OZn)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCHH)(CF3)2(OZn)	C(CCCO)(F)3	C(CCCO)(F)3	109.0252	0.386	5	109.0252	0.149	5	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CC[5,6]HH)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CC[5,6]HH)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	109.3280	0.275	4	109.3280	0.075	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCl3)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CCl3)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	107.5720	0.614	3	107.5720	0.377	3	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CH3)(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(CH3)(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	105.7442	3.577	4	105.7442	12.794	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CH3)(OMo)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(CH3)(OMo)	C(CCCO)(F)3	C(CCCO)(F)3	108.8958	1.268	4	108.8958	1.607	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CH3)(OW)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)2(CH3)(OW)	C(CCCO)(F)3	C(CCCO)(F)3	109.9206	0.512	7	109.9206	0.262	7	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)3(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)3(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	109.1918	2.288	446	109.1918	5.235	446	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)3(OB)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)3(OB)	C(CCCO)(F)3	C(CCCO)(F)3	110.0753	1.046	9	110.0753	1.094	9	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)3(OC)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)3(OC)	C(CCCO)(F)3	C(CCCO)(F)3	109.5123	0.430	18	109.5123	0.185	18	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)3(OW)	C(CCCO)(F)3	C(CCCO)(F)3	C(CF3)3(OW)	C(CCCO)(F)3	C(CCCO)(F)3	109.9798	1.260	20	109.9798	1.587	20	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OCu)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHN)(CF3)2(OCu)	C(CCCO)(F)3	C(CCCO)(F)3	109.5893	0.151	3	109.5893	0.023	3	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHN)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	110.5782	0.821	4	110.5782	0.674	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OMg)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHN)(CF3)2(OMg)	C(CCCO)(F)3	C(CCCO)(F)3	109.3210	0.000	1	109.3210	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(ORu)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHN)(CF3)2(ORu)	C(CCCO)(F)3	C(CCCO)(F)3	108.8667	1.220	4	108.8667	1.489	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OSr)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHN)(CF3)2(OSr)	C(CCCO)(F)3	C(CCCO)(F)3	106.3920	0.000	1	106.3920	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OGe)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(OGe)	C(CCCO)(F)3	C(CCCO)(F)3	107.9940	0.425	4	107.9940	0.180	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(OH)	C(CCCO)(F)3	C(CCCO)(F)3	109.1535	0.959	4	109.1535	0.920	4	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OIr)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(OIr)	C(CCCO)(F)3	C(CCCO)(F)3	107.7650	1.060	3	107.7650	1.124	3	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OPt)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(OPt)	C(CCCO)(F)3	C(CCCO)(F)3	108.9580	0.932	2	108.9580	0.869	2	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	C(CHHP)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	108.2035	0.439	8	108.2035	0.192	8	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CN[5]HH)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	C(CN[5]HH)(CF3)2(OAl)	C(CCCO)(F)3	C(CCCO)(F)3	109.9310	0.000	1	109.9310	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CSeHH)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	C(CSeHH)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(F)3	109.8215	0.083	2	109.8215	0.007	2	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CSeHH)(CF3)2(OZn)	C(CCCO)(F)3	C(CCCO)(F)3	C(CSeHH)(CF3)2(OZn)	C(CCCO)(F)3	C(CCCO)(F)3	109.2710	0.000	1	109.2710	0.000	1	109.1553	4.436	602	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(F)3	C(CCCO)(H)3	C(CC[6]HH)(CF3)(CH3)(OH)	C(CCCO)(F)3	C(CCCO)(H)3	108.8880	0.000	1	108.8880	0.000	1	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)2(OC)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)(CH3)2(OC)	C(CCCO)(F)3	C(CCCO)(H)3	109.6610	1.126	2	109.6610	1.267	2	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)2(OW)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)(CH3)2(OW)	C(CCCO)(F)3	C(CCCO)(H)3	109.3118	0.342	4	109.3118	0.117	4	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)2(CH3)(OAl)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)2(CH3)(OAl)	C(CCCO)(F)3	C(CCCO)(H)3	108.9733	5.749	8	108.9733	33.047	8	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)2(CH3)(OMo)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)2(CH3)(OMo)	C(CCCO)(F)3	C(CCCO)(H)3	108.5741	0.665	8	108.5741	0.442	8	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)2(CH3)(OW)	C(CCCO)(F)3	C(CCCO)(H)3	C(CF3)2(CH3)(OW)	C(CCCO)(F)3	C(CCCO)(H)3	109.0025	1.081	13	109.0025	1.168	13	108.9686	7.221	36	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(F)2(H)	C(CCCO)(H)3	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(F)2(H)	C(CCCO)(H)3	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CBrCH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.4257	0.167	3	110.4257	0.028	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.7565	0.180	2	110.7565	0.033	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.3747	0.644	7	110.3747	0.415	7	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(CH3)2(OB)	C(CCCO)(H)3	C(CCCO)(H)3	110.1400	0.000	1	110.1400	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.2120	1.000	23	110.2120	1.000	23	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCCO)(CH3)2(ORe)	C(CCCO)(H)3	C(CCCO)(H)3	110.2870	1.847	2	110.2870	3.411	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	111.6816	0.684	5	111.6816	0.468	5	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.4713	0.942	16	110.4713	0.888	16	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(ONi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(ONi)	C(CCCO)(H)3	C(CCCO)(H)3	108.9570	0.000	1	108.9570	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(ORh)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(ORh)	C(CCCO)(H)3	C(CCCO)(H)3	109.0990	0.000	1	109.0990	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHH)(CH3)2(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	110.8250	0.066	2	110.8250	0.004	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.1290	0.880	2	110.1290	0.774	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.1615	1.033	2	110.1615	1.067	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.8707	0.920	13	110.8707	0.846	13	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[3]HO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	111.1220	0.000	1	111.1220	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[5]CH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	109.0580	0.000	2	109.0580	0.000	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[5]HH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	109.6480	0.000	1	109.6480	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[5]HO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.6568	0.575	5	110.6568	0.330	5	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]CH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.3190	0.000	1	110.3190	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	109.9270	0.000	1	109.9270	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OO)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OO)	C(CCCO)(H)3	C(CCCO)(H)3	111.2120	0.000	1	111.2120	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OP)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OP)	C(CCCO)(H)3	C(CCCO)(H)3	111.0610	0.000	1	111.0610	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(ORu)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(ORu)	C(CCCO)(H)3	C(CCCO)(H)3	111.8665	0.614	2	111.8665	0.378	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.0530	0.000	1	110.0530	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	111.3590	0.000	1	111.3590	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.1130	0.000	1	111.1130	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6a]2H)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.0330	0.000	1	110.0330	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6a]CH)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.0183	0.097	3	110.0183	0.009	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5a]H)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CC[6a]N[5a]H)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.0630	0.000	1	110.0630	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCl3)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCl3)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	112.2405	0.979	4	112.2405	0.958	4	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCo2C)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCo2C)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.9440	0.000	1	110.9440	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCo2C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCo2C)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	106.2510	6.139	2	106.2510	37.689	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCuOO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CCuOO)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	110.3890	0.000	1	110.3890	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CF3)(CH3)2(OC)	C(CCCO)(H)3	C(CCCO)(H)3	113.6430	0.000	1	113.6430	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CF3)(CH3)2(OW)	C(CCCO)(H)3	C(CCCO)(H)3	C(CF3)(CH3)2(OW)	C(CCCO)(H)3	C(CCCO)(H)3	112.8480	0.509	2	112.8480	0.259	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeCC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CFeCC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.5910	0.000	1	110.5910	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeRuC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CFeRuC)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	108.6773	0.294	4	108.6773	0.087	4	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	109.6310	2.814	30	109.6310	7.918	30	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OBe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OBe)	C(CCCO)(H)3	C(CCCO)(H)3	109.7073	0.511	3	109.7073	0.261	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OBi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OBi)	C(CCCO)(H)3	C(CCCO)(H)3	109.6961	1.977	12	109.6961	3.907	12	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OC)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OC)	C(CCCO)(H)3	C(CCCO)(H)3	111.5562	1.318	8355	111.5562	1.737	8355	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OCr)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OCr)	C(CCCO)(H)3	C(CCCO)(H)3	110.3837	0.688	3	110.3837	0.473	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OCu)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OCu)	C(CCCO)(H)3	C(CCCO)(H)3	110.0867	0.570	3	110.0867	0.325	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OFe)	C(CCCO)(H)3	C(CCCO)(H)3	110.8992	5.966	9	110.8992	35.593	9	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	110.4744	0.600	12	110.4744	0.360	12	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.0734	1.859	66	111.0734	3.457	66	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OHf)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OHf)	C(CCCO)(H)3	C(CCCO)(H)3	110.3792	1.806	9	110.3792	3.261	9	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OMg)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OMg)	C(CCCO)(H)3	C(CCCO)(H)3	109.4977	0.675	3	109.4977	0.455	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OMo)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OMo)	C(CCCO)(H)3	C(CCCO)(H)3	111.8858	1.109	12	111.8858	1.230	12	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(ON)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(ON)	C(CCCO)(H)3	C(CCCO)(H)3	111.6175	0.729	51	111.6175	0.532	51	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(ONb)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(ONb)	C(CCCO)(H)3	C(CCCO)(H)3	110.9047	0.834	11	110.9047	0.695	11	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(ONi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(ONi)	C(CCCO)(H)3	C(CCCO)(H)3	109.7770	2.358	6	109.7770	5.559	6	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OO)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OO)	C(CCCO)(H)3	C(CCCO)(H)3	111.6371	1.496	143	111.6371	2.239	143	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OP)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OP)	C(CCCO)(H)3	C(CCCO)(H)3	110.8654	1.474	114	110.8654	2.174	114	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OS)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OS)	C(CCCO)(H)3	C(CCCO)(H)3	111.8500	2.290	3	111.8500	5.245	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OSb)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OSb)	C(CCCO)(H)3	C(CCCO)(H)3	110.5172	1.050	6	110.5172	1.103	6	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OSi)	C(CCCO)(H)3	C(CCCO)(H)3	110.6211	0.941	708	110.6211	0.886	708	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OSn)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OSn)	C(CCCO)(H)3	C(CCCO)(H)3	110.2865	5.073	25	110.2865	25.731	25	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OTi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OTi)	C(CCCO)(H)3	C(CCCO)(H)3	111.0471	1.464	30	111.0471	2.142	30	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OU)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OU)	C(CCCO)(H)3	C(CCCO)(H)3	112.6187	7.141	3	112.6187	50.997	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OV)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OV)	C(CCCO)(H)3	C(CCCO)(H)3	111.1758	0.908	6	111.1758	0.824	6	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OW)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OW)	C(CCCO)(H)3	C(CCCO)(H)3	111.0934	1.640	81	111.0934	2.689	81	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OZn)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OZn)	C(CCCO)(H)3	C(CCCO)(H)3	109.4390	0.166	3	109.4390	0.027	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OZr)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OZr)	C(CCCO)(H)3	C(CCCO)(H)3	110.6100	1.476	32	110.6100	2.178	32	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(CH3)2(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	108.4088	2.076	6	108.4088	4.311	6	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(CH3)2(OGe)	C(CCCO)(H)3	C(CCCO)(H)3	110.0162	0.573	8	110.0162	0.329	8	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.1198	0.897	18	111.1198	0.804	18	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OSn)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHN)(CH3)2(OSn)	C(CCCO)(H)3	C(CCCO)(H)3	109.6721	1.078	67	109.6721	1.162	67	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(OLi)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHO)(CH3)2(OLi)	C(CCCO)(H)3	C(CCCO)(H)3	110.4830	0.000	1	110.4830	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(OB)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHP)(CH3)2(OB)	C(CCCO)(H)3	C(CCCO)(H)3	110.2073	0.641	3	110.2073	0.410	3	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(OZr)	C(CCCO)(H)3	C(CCCO)(H)3	C(CHHP)(CH3)2(OZr)	C(CCCO)(H)3	C(CCCO)(H)3	109.9400	0.000	1	109.9400	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OAl)	C(CCCO)(H)3	C(CCCO)(H)3	109.7752	0.492	5	109.7752	0.242	5	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.4005	0.738	6	111.4005	0.545	6	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OPd)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OPd)	C(CCCO)(H)3	C(CCCO)(H)3	110.6020	0.000	1	110.6020	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(ORh)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(ORh)	C(CCCO)(H)3	C(CCCO)(H)3	108.6970	0.000	1	108.6970	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(OZn)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5]HH)(CH3)2(OZn)	C(CCCO)(H)3	C(CCCO)(H)3	110.3530	0.325	2	110.3530	0.106	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[5a]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	111.5780	0.622	2	111.5780	0.387	2	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	C(CN[6]HH)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(H)3	110.7160	0.000	1	110.7160	0.000	1	111.4216	1.941	9980	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	C(CCHH)(CH3)2(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	110.3940	0.000	1	110.3940	0.000	1	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CCHN)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	110.0820	0.506	2	110.0820	0.256	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SPd)	C(CCCS)(H)3	C(CCCS)(H)3	C(CCHN)(CH3)2(SPd)	C(CCCS)(H)3	C(CCCS)(H)3	110.4053	0.443	3	110.4053	0.196	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SRe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CCHN)(CH3)2(SRe)	C(CCCS)(H)3	C(CCCS)(H)3	110.5060	0.538	4	110.5060	0.289	4	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]2O)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	C(CC[5]2O)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	109.4630	0.000	1	109.4630	0.000	1	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCo2C)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CCo2C)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	111.1890	0.808	6	111.1890	0.652	6	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SB)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SB)	C(CCCS)(H)3	C(CCCS)(H)3	109.7080	0.544	3	109.7080	0.295	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SC)	C(CCCS)(H)3	C(CCCS)(H)3	110.5616	0.883	90	110.5616	0.780	90	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	109.0350	0.669	6	109.0350	0.448	6	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	109.5460	2.284	12	109.5460	5.219	12	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SMo)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SMo)	C(CCCS)(H)3	C(CCCS)(H)3	111.1080	1.476	3	111.1080	2.177	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	109.3679	1.091	15	109.3679	1.191	15	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SP)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SP)	C(CCCS)(H)3	C(CCCS)(H)3	110.2683	0.790	3	110.2683	0.624	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(STe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(STe)	C(CCCS)(H)3	C(CCCS)(H)3	110.7777	0.411	3	110.7777	0.169	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SW)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SW)	C(CCCS)(H)3	C(CCCS)(H)3	110.2337	1.506	9	110.2337	2.268	9	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	109.7853	0.499	3	109.7853	0.249	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SZr)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SZr)	C(CCCS)(H)3	C(CCCS)(H)3	110.1780	0.732	20	110.1780	0.536	20	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SC)	C(CCCS)(H)3	C(CCCS)(H)3	109.4175	0.016	2	109.4175	0.000	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SCo)	C(CCCS)(H)3	C(CCCS)(H)3	109.4870	0.961	5	109.4870	0.923	5	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCu)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SCu)	C(CCCS)(H)3	C(CCCS)(H)3	109.2135	0.605	2	109.2135	0.366	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SFe)	C(CCCS)(H)3	C(CCCS)(H)3	108.1815	0.261	2	108.1815	0.068	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SGe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SGe)	C(CCCS)(H)3	C(CCCS)(H)3	108.9908	0.372	6	108.9908	0.138	6	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SNi)	C(CCCS)(H)3	C(CCCS)(H)3	108.8042	1.063	8	108.8042	1.129	8	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SRu)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SRu)	C(CCCS)(H)3	C(CCCS)(H)3	107.1150	0.442	3	107.1150	0.195	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	110.5317	0.314	3	110.5317	0.098	3	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	108.5037	0.932	7	108.5037	0.869	7	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(SRe)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHS)(CH3)2(SRe)	C(CCCS)(H)3	C(CCCS)(H)3	111.0545	1.495	8	111.0545	2.236	8	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]2H)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	C(CN[5]2H)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	109.6002	0.445	4	109.6002	0.198	4	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	C(CN[5]HH)(CH3)2(SS)	C(CCCS)(H)3	C(CCCS)(H)3	111.4855	0.268	2	111.4855	0.072	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]2H)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	C(CN[5a]2H)(CH3)2(SZn)	C(CCCS)(H)3	C(CCCS)(H)3	108.9840	1.020	2	108.9840	1.040	2	110.0693	1.543	238	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Se-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SeC)	C(CSeCC)(H)3	C(CSeCC)(H)3	C(CH3)3(SeC)	C(CSeCC)(H)3	C(CSeCC)(H)3	110.8283	0.749	6	110.8283	0.561	6	110.5619	1.344	9	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:Se-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SeW)	C(CSeCC)(H)3	C(CSeCC)(H)3	C(CH3)3(SeW)	C(CSeCC)(H)3	C(CSeCC)(H)3	110.0290	1.826	3	110.0290	3.335	3	110.5619	1.344	9	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	C(CCOP)(H)3	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	C(CCOP)(H)3	111.1331	0.797	11	111.1331	0.635	11	111.1331	0.635	11	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C(CC[3]CO)(F)3	C(CC[3]CO)(F)3	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C(CC[3]CO)(F)3	C(CC[3]CO)(F)3	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	110.9800	0.000	1	110.9800	0.000	1	110.5096	0.465	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	C(C[3]C[3]2H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	110.0733	0.428	3	110.0733	0.183	3	110.5096	0.465	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]N[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	C(C[3]C[3]N[3]H)(CH3)2(OH)	C(CC[3]CO)(H)3	C(CC[3]CO)(H)3	111.3480	0.000	1	111.3480	0.000	1	110.5096	0.465	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4,5]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	111.5530	0.000	1	111.5530	0.000	1	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4,6]C[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	111.4290	0.000	1	111.4290	0.000	1	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4,6]N[4]H)(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	113.4790	0.000	1	113.4790	0.000	1	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2Co)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4]2Co)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	110.0973	0.315	4	110.0973	0.099	4	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2H)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[4]2H)(CH3)2(OSi)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	109.5927	2.471	4	109.5927	6.105	4	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	C(C[4]C[6a]C[4]N[4])(CH3)2(OH)	C(CC[4]CO)(H)3	C(CC[4]CO)(H)3	110.3335	0.190	2	110.3335	0.036	2	110.4529	2.789	13	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C(CC[5,6]CO)(H)3	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	C(CC[5,6]CO)(H)3	C(CC[5,6]CO)(H)3	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.6655	0.032	2	110.6655	0.001	2	109.2916	2.076	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8675	0.747	2	108.8675	0.559	2	109.2916	2.076	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.3920	0.000	1	107.3920	0.000	1	109.2916	2.076	5	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(F)3	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(F)3	C(CC[5]CN)(H)3	107.4390	0.040	2	107.4390	0.002	2	107.4390	0.002	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)2(NN)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	C(C[5]C[5]2H)(CH3)2(NN)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	111.7060	0.000	1	111.7060	0.000	1	111.7060	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(Cl)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	C(CC[5]CO)(Cl)(H)2	C(CC[5]CO)(H)3	112.0015	0.849	2	112.0015	0.721	2	112.0015	0.721	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]2Fe)(CF3)2(OH)	C(CC[5]CO)(F)3	C(CC[5]CO)(F)3	C(C[5]C[5]2Fe)(CF3)2(OH)	C(CC[5]CO)(F)3	C(CC[5]CO)(F)3	109.3805	0.440	4	109.3805	0.193	4	109.8940	0.477	10	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(C[5]C[5]O[5]H)(CF3)2(OH)	C(CC[5]CO)(F)3	C(CC[5]CO)(F)3	C(C[5]C[5]O[5]H)(CF3)2(OH)	C(CC[5]CO)(F)3	C(CC[5]CO)(F)3	110.2363	0.626	6	110.2363	0.392	6	109.8940	0.477	10	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	108.5720	0.000	1	108.5720	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.2300	0.000	1	111.2300	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2C)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]2C)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	108.7020	0.000	1	108.7020	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]2Fe)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.1208	0.730	4	111.1208	0.532	4	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.6492	1.188	12	110.6492	1.411	12	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]2Ru)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	109.4240	0.574	2	109.4240	0.330	2	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)2(OC)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OC)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	109.9110	0.000	1	109.9110	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)2(ONi)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(ONi)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.7090	0.000	1	110.7090	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)2(OO)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CH3)2(OO)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.9590	0.000	1	111.9590	0.000	1	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.0224	0.819	45	111.0224	0.671	45	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]O)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]O)(CH3)2(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	111.4788	0.841	4	111.4788	0.707	4	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]P[5]H)(CH3)2(OPd)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	C(C[5]O[5]P[5]H)(CH3)2(OPd)	C(CC[5]CO)(H)3	C(CC[5]CO)(H)3	110.6390	2.028	2	110.6390	4.113	2	110.8721	0.988	75	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2H)(CH3)2(SS)	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	C(C[5]N[5]2H)(CH3)2(SS)	C(CC[5]CS)(H)3	C(CC[5]CS)(H)3	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C(CC[6,6]CO)(H)3	C(CC[6,6]CO)(H)3	C(C[6,6]C[6,6]C[6]O[6])(CH3)2(OH)	C(CC[6,6]CO)(H)3	C(CC[6,6]CO)(H)3	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.1920	0.000	2	109.1920	0.000	2	109.0927	0.030	3	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.8940	0.000	1	108.8940	0.000	1	109.0927	0.030	3	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(NC)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NC)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	107.6680	0.000	1	107.6680	0.000	1	109.4640	6.451	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(NN)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NN)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	111.2600	0.000	1	111.2600	0.000	1	109.4640	6.451	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[5,6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	108.8277	0.087	3	108.8277	0.008	3	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	112.7675	0.360	2	112.7675	0.130	2	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.0240	0.000	1	110.0240	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	108.3700	0.000	1	108.3700	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.6960	0.000	1	109.6960	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6,6]C[6]O)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	108.6220	0.000	1	108.6220	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]2C)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	108.9630	0.000	1	108.9630	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OC)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.3429	1.237	9	109.3429	1.531	9	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	109.8469	0.563	14	109.8469	0.317	14	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]2O)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	112.3280	0.000	1	112.3280	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OH)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	110.9057	0.741	23	110.9057	0.549	23	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CH3)2(OO)	C(CC[6]CO)(H)3	C(CC[6]CO)(H)3	111.1750	0.000	1	111.1750	0.000	1	110.2409	1.408	58	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:S-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(SC)	C(CC[6]CS)(H)3	C(CC[6]CS)(H)3	C(C[6]C[6]2H)(CH3)2(SC)	C(CC[6]CS)(H)3	C(CC[6]CS)(H)3	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	C(CCCP)(H)3	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Fe)(CH3)2(OSi)	C(CCOP)(H)3	C(CCOP)(H)3	C(PC[6a]2Fe)(CH3)2(OSi)	C(CCOP)(H)3	C(CCOP)(H)3	108.5760	0.000	1	108.5760	0.000	1	110.0575	4.390	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	C(CCOP)(H)3	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	C(CCOP)(H)3	111.5390	0.000	1	111.5390	0.000	1	110.0575	4.390	2	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	C(CP[6]CO)(H)3	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	C(CP[6]CO)(H)3	111.5940	0.552	4	111.5940	0.305	4	111.5940	0.305	4	111.1429	2.606	13105	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(OC)(H)2	C(CC3)(H)3	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	C(CCCO)(H)3	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	C(CCCO)(H)3	110.6905	0.067	2	110.6905	0.005	2	110.6905	0.005	2	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(OC)(H)2	C(CCCO)(F)3	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(OC)(H)2	C(CCCO)(F)3	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OC)(H)2	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OC)(H)2	C(CCCO)(H)3	111.8715	0.250	2	111.8715	0.062	2	110.1654	10.230	5	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OH)(H)2	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	C(CCCO)(OH)(H)2	C(CCCO)(H)3	106.7840	0.970	2	106.7840	0.941	2	110.1654	10.230	5	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(OC)(H)2	C(CCCO)(H)3	C(CC[6a]CH)(CHHO)(CH3)(OC)	C(CCCO)(OC)(H)2	C(CCCO)(H)3	113.5160	0.000	1	113.5160	0.000	1	110.1654	10.230	5	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(OH)(H)2	C(CC[5,6]CO)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(CH3)(OH)	C(CC[5,6]CO)(OH)(H)2	C(CC[5,6]CO)(H)3	110.5080	0.225	2	110.5080	0.051	2	110.5080	0.051	2	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(OC)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	C(CC[5]CO)(OC)(H)2	C(CC[5]CO)(H)3	111.2460	0.000	1	111.2460	0.000	1	111.0998	0.178	4	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(OH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	C(CC[5]CO)(OH)(H)2	C(CC[5]CO)(H)3	111.0510	0.502	3	111.0510	0.252	3	111.0998	0.178	4	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]2H)(CHHO)(CH3)(OH)	C(CC[6]CO)(OH)(H)2	C(CC[6]CO)(H)3	108.5300	0.454	2	108.5300	0.206	2	108.5300	0.206	2	109.9316	4.386	17	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)2(OH)	C(CCCO)(OH)(H)2	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	C(CCCO)(OH)(H)2	C(CCCO)(OH)(H)2	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	110.8270	9.031	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:N-2:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OC)(H)2	C(CC[5]CN)(OH)(H)2	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OC)(H)2	C(CC[5]CN)(OH)(H)2	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	110.8270	9.031	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	C(CCCO)(H)3	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:2:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CC)(OH)(H)	C(CCCO)(CCHH)(H)2	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CN)	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CN)	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.7080	2.274	2	109.7080	5.171	2	109.2723	3.155	3	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(CCH)(H)2	C(CC3)(H)3	108.4010	0.000	1	108.4010	0.000	1	109.2723	3.155	3	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	108.1090	0.294	2	108.1090	0.087	2	108.1090	0.087	2	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OAl)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OAl)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	108.5738	1.169	20	108.5738	1.367	20	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(F)3	110.0635	1.330	2	110.0635	1.769	2	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	109.1619	1.514	8	109.1619	2.292	8	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(F)3	109.3023	2.374	4	109.3023	5.634	4	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(COO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(COO)(H)2	C(CCCO)(F)3	108.9573	0.970	4	108.9573	0.940	4	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OPd)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OPd)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	108.2175	1.712	2	108.2175	2.931	2	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OZn)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OZn)	C(CCCO)(CCN)(H)2	C(CCCO)(F)3	107.6538	1.935	4	107.6538	3.743	4	108.7497	2.090	44	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCH)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCH)(H)2	C(CCCO)(H)3	105.4590	0.000	1	105.4590	0.000	1	110.2867	3.548	19	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCN)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	C(CCCO)(CCN)(H)2	C(CCCO)(H)3	110.4597	2.147	6	110.4597	4.609	6	110.2867	3.548	19	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	C(CCCO)(CCO)(H)2	C(CCCO)(H)3	110.6672	1.258	8	110.6672	1.582	8	110.2867	3.548	19	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CNO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	C(CCCO)(CNO)(H)2	C(CCCO)(H)3	109.9750	1.459	2	109.9750	2.130	2	110.2867	3.548	19	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(ONi)	C(CCCO)(CNiC)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(ONi)	C(CCCO)(CNiC)(H)2	C(CCCO)(H)3	110.9715	1.354	2	110.9715	1.834	2	110.2867	3.548	19	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(F)3	110.3682	0.474	6	110.3682	0.225	6	110.3682	0.225	6	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OGe)	C(CCCO)(NCC)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OGe)	C(CCCO)(NCC)(H)2	C(CCCO)(H)3	110.8238	2.271	4	110.8238	5.159	4	110.4601	5.394	38	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(H)3	110.3969	2.401	32	110.3969	5.766	32	110.4601	5.394	38	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OH)	C(CCCO)(NCH)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OH)	C(CCCO)(NCH)(H)2	C(CCCO)(H)3	110.7430	2.131	2	110.7430	4.542	2	110.4601	5.394	38	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(OLi)	C(CCCO)(OLiC)(H)2	C(CCCO)(H)3	C(CHHO)(CH3)2(OLi)	C(CCCO)(OLiC)(H)2	C(CCCO)(H)3	110.1160	2.833	2	110.1160	8.024	2	110.1160	8.024	2	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OGe)	C(CCCO)(PCC)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OGe)	C(CCCO)(PCC)(H)2	C(CCCO)(F)3	109.0987	0.758	8	109.0987	0.574	8	109.0274	0.622	10	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCC)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCC)(H)2	C(CCCO)(F)3	108.7420	1.171	2	108.7420	1.371	2	109.0274	0.622	10	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)2(OB)	C(CCCO)(PCC)(H)2	C(CCCO)(H)3	C(CHHP)(CH3)2(OB)	C(CCCO)(PCC)(H)2	C(CCCO)(H)3	108.9445	2.430	8	108.9445	5.907	8	108.9445	5.907	8	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(SCo)	C(CCCS)(CNO)(H)2	C(CCCS)(H)3	C(CCHH)(CH3)2(SCo)	C(CCCS)(CNO)(H)2	C(CCCS)(H)3	110.3250	1.720	2	110.3250	2.957	2	110.3250	2.957	2	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SC)	C(CCCS)(NCH)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SC)	C(CCCS)(NCH)(H)2	C(CCCS)(H)3	109.6560	1.960	4	109.6560	3.840	4	110.1974	4.724	22	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCo)	C(CCCS)(NCoC)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SCo)	C(CCCS)(NCoC)(H)2	C(CCCS)(H)3	110.4055	0.566	6	110.4055	0.320	6	110.1974	4.724	22	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SGe)	C(CCCS)(NCC)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SGe)	C(CCCS)(NCC)(H)2	C(CCCS)(H)3	110.2738	2.773	12	110.2738	7.689	12	110.1974	4.724	22	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:S-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(SRe)	C(CCCS)(SReC)(H)2	C(CCCS)(H)3	C(CHHS)(CH3)2(SRe)	C(CCCS)(SReC)(H)2	C(CCCS)(H)3	110.7279	1.820	16	110.7279	3.311	16	110.7279	3.311	16	109.7841	3.950	172	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(OH)(H)2	C(CHHN)(CHHO)2(OH)	C(CCCO)(NCC)(H)2	C(CCCO)(OH)(H)2	109.2060	4.893	2	109.2060	23.943	2	109.2060	23.943	2	110.4177	16.376	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(NOO)(H)2	C(CC[5]CO)(OC)(H)2	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	C(CC[5]CO)(NOO)(H)2	C(CC[5]CO)(OC)(H)2	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	110.4177	16.376	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-2:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	C(CCCN)(NCH)(H)2	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	109.0235	6.900	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)2(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(CCH)(H)2	C(CC[6]CH)(CCHH)2(OH)	C(CCCO)(CCH)(H)2	C(CCCO)(CCH)(H)2	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	109.0235	6.900	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(OSn)	C(CCCO)(NCH)(H)2	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	C(CCCO)(NCH)(H)2	C(CCCO)(NCH)(H)2	106.7835	0.732	2	106.7835	0.536	2	106.7835	0.536	2	109.0235	6.900	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CC)	C(CC3)(CCH)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CC)	C(CC3)(CCH)(OH)(H)	C(CC3)(H)3	109.7458	0.223	4	109.7458	0.050	4	109.7458	0.050	4	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(OH)	C(CCCO)(COO)(NC)(H)	C(CCCO)(H)3	C(CCHN)(CH3)2(OH)	C(CCCO)(COO)(NC)(H)	C(CCCO)(H)3	110.5055	1.899	2	110.5055	3.605	2	110.5055	3.605	2	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	C(CCCO)(F)3	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	C(CCCO)(F)3	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	C(CCCO)(H)3	110.9280	0.000	1	110.9280	0.000	1	111.6917	1.310	4	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CCCO)(CCO)(OH)(H)	C(CCCO)(H)3	112.2380	1.625	2	112.2380	2.640	2	111.6917	1.310	4	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OSi)	C(CCCO)(CCH)(OH)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OSi)	C(CCCO)(CCH)(OH)(H)	C(CCCO)(H)3	111.3630	0.000	1	111.3630	0.000	1	111.6917	1.310	4	110.4531	2.080	11	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	C(CCCO)(OC)(H)2	C(CCHO)(CHHO)(CF3)(OH)	C(CCCO)(COO)(OH)(H)	C(CCCO)(OC)(H)2	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCH)(OC)(H)	C(CCCO)(CCHH)(H)2	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:N-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SRe)	C(CCCS)(NReC)(COO)(H)	C(CCCS)(H)3	C(CCHN)(CH3)2(SRe)	C(CCCS)(NReC)(COO)(H)	C(CCCS)(H)3	111.8330	1.035	2	111.8330	1.072	2	111.8330	1.072	2	111.8330	1.072	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:3:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(ORe)	C(CCCO)(OReH)(CH3)2	C(CCCO)(H)3	C(CCCO)(CH3)2(ORe)	C(CCCO)(OReH)(CH3)2	C(CCCO)(H)3	111.7535	0.186	2	111.7535	0.035	2	111.7535	0.035	2	111.7535	0.035	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	2:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	C(SC[6a])(CCCO)(H)2	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	C(SC[6a])(CCCO)(H)2	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	C(CC[5]O)(CCCO)(H)2	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	C(CC[5]O)(CCCO)(H)2	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	109.4345	1.419	2	109.4345	2.014	2	110.2464	6.694	7	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CN)	C(CCCH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CN)	C(CCCH)(CC3)(H)2	C(CC3)(H)3	109.2415	2.597	2	109.2415	6.745	2	110.2464	6.694	7	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	110.1895	3.744	2	110.1895	14.019	2	110.2464	6.694	7	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHO)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHO)(CC3)(H)2	C(CC3)(H)3	113.9940	0.000	1	113.9940	0.000	1	110.2464	6.694	7	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(CC3)(H)3	109.7247	0.406	3	109.7247	0.165	3	109.7247	0.165	3	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	108.5230	0.484	3	108.5230	0.234	3	109.2568	5.167	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	108.9980	0.000	1	108.9980	0.000	1	109.2568	5.167	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(CN)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)2(CN)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(H)3	110.4870	4.545	2	110.4870	20.660	2	109.2568	5.167	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(CN)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC3)(H)3	C(CC[6]HH)(CH3)2(CN)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC3)(H)3	110.6525	0.327	2	110.6525	0.107	2	110.6525	0.107	2	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CH3)(H)2	C(CCCN)(F)3	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CH3)(H)2	C(CCCN)(F)3	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NC)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NC)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	111.9105	4.512	4	111.9105	20.360	4	111.3359	10.354	12	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCr)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCr)	C(CCCN)(CCHH)(H)2	C(CCCN)(H)3	110.6975	2.038	4	110.6975	4.153	4	111.3359	10.354	12	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	111.3997	3.530	4	111.3997	12.462	4	111.3359	10.354	12	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)2(OC)	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(H)3	C(CBrCH)(CH3)2(OC)	C(CCCO)(CCHH)(Br)(H)	C(CCCO)(H)3	112.2730	1.643	2	112.2730	2.700	2	112.2380	1.797	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)2(OC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(CCCO)(H)3	C(CBrCH)(CH3)2(OC)	C(CC[6a]HH)(CCCO)(Br)(H)	C(CCCO)(H)3	112.2205	1.447	4	112.2205	2.093	4	112.2380	1.797	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(Br)(H)2	113.7260	0.000	1	113.7260	0.000	1	110.4943	16.182	3	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(Br)(H)2	108.8785	4.086	2	108.8785	16.698	2	110.4943	16.182	3	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OC)	C(CCCO)(CHOO)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OC)	C(CCCO)(CHOO)(H)2	C(CCCO)(F)3	109.5925	1.554	4	109.5925	2.415	4	109.3004	3.367	10	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OCu)	C(CCCO)(CCHN)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OCu)	C(CCCO)(CCHN)(H)2	C(CCCO)(F)3	108.6235	2.347	2	108.6235	5.508	2	109.3004	3.367	10	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(F)3	C(CCHH)(CF3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(F)3	109.3468	2.330	4	109.3468	5.427	4	109.3004	3.367	10	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	110.9570	0.000	1	110.9570	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCCH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	108.5360	0.000	1	108.5360	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	111.5560	0.711	2	111.5560	0.506	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.4895	1.889	4	111.4895	3.570	4	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.3643	0.920	6	111.3643	0.847	6	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]CH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]CH)(CCCO)(H)2	C(CCCO)(H)3	108.1420	0.000	1	108.1420	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	110.6355	2.211	2	110.6355	4.889	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(H)3	112.7880	0.027	2	112.7880	0.001	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.4740	1.555	5	111.4740	2.419	5	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OC)	C(CCCO)(CH3)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	C(CCCO)(CH3)(H)2	C(CCCO)(H)3	110.3805	2.764	2	110.3805	7.640	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OC)	C(CCCO)(CHHN)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OC)	C(CCCO)(CHHN)(H)2	C(CCCO)(H)3	110.8400	1.219	2	110.8400	1.486	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.4743	1.252	16	111.4743	1.567	16	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(ORh)	C(CRhCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(ORh)	C(CRhCH)(CCCO)(H)2	C(CCCO)(H)3	110.2625	0.086	2	110.2625	0.007	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(OSi)	C(CCCO)(CHHS)(H)2	C(CCCO)(H)3	C(CCHH)(CH3)2(OSi)	C(CCCO)(CHHS)(H)2	C(CCCO)(H)3	109.9112	1.645	4	109.9112	2.705	4	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	112.6275	0.385	2	112.6275	0.149	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	C(CCCO)(H)3	114.4720	0.071	2	114.4720	0.005	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)(CHHS)(CH3)(OC)	C(CC[6a]CH)(CCCO)(H)2	C(CCCO)(H)3	108.7630	0.000	1	108.7630	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.3567	2.182	6	111.3567	4.760	6	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(H)3	112.2040	0.000	1	112.2040	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CCHH)2(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.1030	0.000	1	111.1030	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CCHH)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(H)3	110.9590	0.000	1	110.9590	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CC[5]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.4250	0.228	3	111.4250	0.052	3	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CC[6]HO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	111.9390	1.063	2	111.9390	1.131	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(H)3	108.9880	0.000	1	108.9880	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[5]HH)(CCCO)(H)2	C(CCCO)(H)3	110.0690	0.000	1	110.0690	0.000	1	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6a]CH)(CCHH)(CH3)(OH)	C(CC[6]HH)(CCCO)(H)2	C(CCCO)(H)3	109.7470	0.516	2	109.7470	0.266	2	111.1970	2.431	73	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OH)	C(CCCO)(NCCH)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(OH)	C(CCCO)(NCCH)(H)2	C(CCCO)(F)3	109.1275	0.668	2	109.1275	0.447	2	109.1275	0.447	2	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(PC3)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OH)	C(CCCO)(PC3)(H)2	C(CCCO)(F)3	108.9200	1.750	4	108.9200	3.064	4	108.4981	3.102	14	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OH)	C(CCCO)(PCOW)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OH)	C(CCCO)(PCOW)(H)2	C(CCCO)(F)3	109.3815	2.350	4	109.3815	5.525	4	108.4981	3.102	14	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCCN)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCCN)(H)2	C(CCCO)(F)3	107.2610	1.639	2	107.2610	2.687	2	108.4981	3.102	14	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:P-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCCS)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OSn)	C(CCCO)(PCCS)(H)2	C(CCCO)(F)3	107.8113	1.015	4	107.8113	1.031	4	108.4981	3.102	14	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CCCO)(H)3	105.0410	0.010	2	105.0410	0.000	2	105.0410	0.000	2	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5,6]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5,6]HH)(CF3)2(OH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C(CCCO)(F)3	C(CC[5,6]HH)(CF3)2(OH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C(CCCO)(F)3	110.2436	2.541	8	110.2436	6.457	8	110.2436	6.457	8	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(H)3	109.2810	0.000	1	109.2810	0.000	1	109.9216	1.600	13	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	110.0590	0.000	1	110.0590	0.000	1	109.9216	1.600	13	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	108.7100	0.000	1	108.7100	0.000	1	109.9216	1.600	13	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(H)3	110.0280	1.536	8	110.0280	2.359	8	109.9216	1.600	13	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(OC)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[5]HH)(CH3)2(OC)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C(CCCO)(H)3	110.3535	0.569	2	110.3535	0.324	2	109.9216	1.600	13	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:Cl-1:Cl-1:H-1:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CCCO)(Cl)2(H)	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CCCO)(Cl)2(H)	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CCl2H)(CH3)(OC)	C(C[6]C[6,6]C[6]H)(CCCO)(H)2	C(CCCO)(H)3	113.2150	0.000	1	113.2150	0.000	1	111.5278	9.092	5	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OH)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(CCCO)(H)3	111.0310	5.320	2	111.0310	28.305	2	111.5278	9.092	5	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(OO)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C(CCCO)(H)3	C(CC[6]HH)(CH3)2(OO)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	C(CCCO)(H)3	111.1810	2.117	2	111.1810	4.482	2	111.5278	9.092	5	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OCu)	C(NCuCH)(CCCO)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(OCu)	C(NCuCH)(CCCO)(H)2	C(CCCO)(F)3	108.9315	1.051	6	108.9315	1.104	6	108.4154	1.885	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OMg)	C(NMgCC)(CCCO)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(OMg)	C(NMgCC)(CCCO)(H)2	C(CCCO)(F)3	107.7410	2.234	2	107.7410	4.993	2	108.4154	1.885	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(ORu)	C(NRuCH)(CCCO)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(ORu)	C(NRuCH)(CCCO)(H)2	C(CCCO)(F)3	108.6432	1.116	4	108.6432	1.246	4	108.4154	1.885	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(ORu)	C(NRuHH)(CCCO)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(ORu)	C(NRuHH)(CCCO)(H)2	C(CCCO)(F)3	108.2655	0.939	4	108.2655	0.882	4	108.4154	1.885	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHN)(CF3)2(OSr)	C(NSrCC)(CCCO)(H)2	C(CCCO)(F)3	C(CHHN)(CF3)2(OSr)	C(NSrCC)(CCCO)(H)2	C(CCCO)(F)3	107.3860	3.196	2	107.3860	10.215	2	108.4154	1.885	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OAl)	C(NAlCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OAl)	C(NAlCC)(CCCO)(H)2	C(CCCO)(H)3	110.5832	2.480	12	110.5832	6.148	12	110.3153	7.603	148	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(OSn)	C(NSnCC)(CCCO)(H)2	C(CCCO)(H)3	C(CHHN)(CH3)2(OSn)	C(NSnCC)(CCCO)(H)2	C(CCCO)(H)3	110.2917	2.788	136	110.2917	7.771	136	110.3153	7.603	148	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CN[5]HH)(CF3)2(OAl)	C(N[5]C[5]2Al)(CCCO)(H)2	C(CCCO)(F)3	C(CN[5]HH)(CF3)2(OAl)	C(N[5]C[5]2Al)(CCCO)(H)2	C(CCCO)(F)3	108.7700	0.964	2	108.7700	0.930	2	108.7700	0.930	2	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	P-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OIr)	C(PC[6a]2Ir)(CCCO)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OIr)	C(PC[6a]2Ir)(CCCO)(H)2	C(CCCO)(F)3	108.4513	1.597	6	108.4513	2.550	6	108.8204	1.568	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	P-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OPt)	C(PC[6a]2Pt)(CCCO)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OPt)	C(PC[6a]2Pt)(CCCO)(H)2	C(CCCO)(F)3	109.1975	1.480	2	109.1975	2.190	2	108.8204	1.568	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	P-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OPt)	C(PPtCC)(CCCO)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OPt)	C(PPtCC)(CCCO)(H)2	C(CCCO)(F)3	109.1820	0.595	2	109.1820	0.354	2	108.8204	1.568	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	P-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CHHP)(CF3)2(OSn)	C(PSnCC)(CCCO)(H)2	C(CCCO)(F)3	C(CHHP)(CF3)2(OSn)	C(PSnCC)(CCCO)(H)2	C(CCCO)(F)3	108.9125	1.191	8	108.9125	1.419	8	108.8204	1.568	18	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCo)	C(NCoCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SCo)	C(NCoCC)(CCCS)(H)2	C(CCCS)(H)3	110.1140	3.677	4	110.1140	13.518	4	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SCu)	C(NC[6]CuH)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SCu)	C(NC[6]CuH)(CCCS)(H)2	C(CCCS)(H)3	109.8085	0.074	2	109.8085	0.006	2	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SFe)	C(NFeCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SFe)	C(NFeCC)(CCCS)(H)2	C(CCCS)(H)3	111.1363	4.368	4	111.1363	19.081	4	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SNi)	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SNi)	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	111.0489	3.428	14	111.0489	11.751	14	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SNi)	C(NNiCH)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SNi)	C(NNiCH)(CCCS)(H)2	C(CCCS)(H)3	110.1495	2.198	2	110.1495	4.833	2	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SRu)	C(NRuCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SRu)	C(NRuCC)(CCCS)(H)2	C(CCCS)(H)3	110.1698	3.142	6	110.1698	9.874	6	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SZn)	C(NZnCC)(CCCS)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SZn)	C(NZnCC)(CCCS)(H)2	C(CCCS)(H)3	109.9519	3.506	14	109.9519	12.289	14	110.4336	10.596	46	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[3]HH)(CC[4]CN)(H)2	C(CC[4]CN)(H)3	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[3]HH)(CC[4]CN)(H)2	C(CC[4]CN)(H)3	112.0930	0.000	1	112.0930	0.000	1	112.0930	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CC[5]HH)(H)2	C(CC[5,5,6]CO)(H)3	108.2520	0.000	1	108.2520	0.000	1	109.5138	0.491	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CCHH)(H)2	C(CC[5,5,6]CO)(H)3	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	C(CC[5,5,6]CO)(CCHH)(H)2	C(CC[5,5,6]CO)(H)3	109.7662	0.370	5	109.7662	0.137	5	109.5138	0.491	6	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(CC[5]HH)(H)2	C(CC[5,5]CO)(H)3	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(OH)	C(CC[5,5]CO)(CC[5]HH)(H)2	C(CC[5,5]CO)(H)3	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(CF3)(H)2	C(CC[5,6]CN)(H)3	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(CF3)(H)2	C(CC[5,6]CN)(H)3	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(CF3)(H)2	C(CC[5]CN)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(CF3)(H)2	C(CC[5]CN)(H)3	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	106.4100	0.000	1	106.4100	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[4,5]HO)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(OH)	C(CC[4,5]HO)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	108.9880	0.000	1	108.9880	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	111.4570	2.901	2	111.4570	8.413	2	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	109.7460	2.175	5	109.7460	4.732	5	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5,6a]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	110.5040	0.000	1	110.5040	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[3]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[3]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	110.2975	0.153	2	110.2975	0.024	2	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	111.0970	0.000	1	111.0970	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	111.8850	0.000	1	111.8850	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HO)(H)2	C(CC[5]CO)(H)3	109.4980	0.000	1	109.4980	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	106.9155	0.176	4	106.9155	0.031	4	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	111.2930	0.412	2	111.2930	0.169	2	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[4]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[4]HH)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	111.6560	0.000	1	111.6560	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]N[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(H)3	109.7590	0.000	1	109.7590	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CCHH)(H)2	C(CC[5]CO)(H)3	112.1970	0.000	1	112.1970	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(CC[5]CO)(H)3	111.2230	0.000	1	111.2230	0.000	1	109.8282	4.222	25	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C(CC[5]CO)(H)3	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(CCHH)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OC)	C(CC[6]CO)(CCHH)(H)2	C(CC[6]CO)(H)3	110.3890	0.000	1	110.3890	0.000	1	110.3230	0.049	3	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(CCHH)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHH)(CH3)(OH)	C(CC[6]CO)(CCHH)(H)2	C(CC[6]CO)(H)3	110.2900	0.301	2	110.2900	0.091	2	110.3230	0.049	3	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CC[3]HH)(CH3)(OC)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	C(CC[6]CO)(H)3	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	C(CCOP)(H)3	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	C(CCOP)(H)3	113.7550	0.523	2	113.7550	0.274	2	113.7550	0.274	2	110.2473	6.182	442	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(OC)(H)2	C(CCHH)(CHHO)(CH3)(OH)	C(CC[3]HH)(CCCO)(H)2	C(CCCO)(OC)(H)2	106.4815	0.228	2	106.4815	0.052	2	108.8917	4.910	6	108.6840	4.394	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	C(CCCO)(OH)(H)2	C(CCHH)(CHHO)(CH3)(OH)	C(CClCH)(CCCO)(H)2	C(CCCO)(OH)(H)2	109.3630	0.109	2	109.3630	0.012	2	108.8917	4.910	6	108.6840	4.394	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(OH)(H)2	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(OH)(H)2	110.8305	2.215	2	110.8305	4.908	2	108.8917	4.910	6	108.6840	4.394	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:2:1:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	C(CC[5]CO)(OH)(H)2	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	C(CC[5]CO)(OH)(H)2	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	108.6840	4.394	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(CCH)(H)2	113.0980	0.000	1	113.0980	0.000	1	113.0980	0.000	1	110.9574	1.820	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(OSn)	C(NSnCH)(CCCO)(H)2	C(CCCO)(NCH)(H)2	C(CHHN)3(OSn)	C(NSnCH)(CCCO)(H)2	C(CCCO)(NCH)(H)2	110.4222	0.719	4	110.4222	0.517	4	110.4222	0.517	4	110.9574	1.820	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	111.0480	0.000	1	111.0480	0.000	1	109.9410	1.346	3	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CCCH)(CC3)(H)2	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CCCH)(CC3)(H)2	109.3875	0.924	2	109.3875	0.854	2	109.9410	1.346	3	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C[3]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(C[5]C[5]2H)(CC3)(H)2	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(C[5]C[5]2H)(CC3)(H)2	112.7930	0.150	3	112.7930	0.023	3	112.7930	0.023	3	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	112.4930	0.000	1	112.4930	0.000	1	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	110.8060	0.000	1	110.8060	0.000	1	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	113.3300	0.092	2	113.3300	0.008	2	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	113.7007	0.102	3	113.7007	0.010	3	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CH3)(OH)	C(CCCH)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	107.3720	0.000	1	107.3720	0.000	1	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)2(CHHO)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	113.2460	0.000	1	113.2460	0.000	1	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	C(CCHH)3(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)(H)2	112.1765	0.924	6	112.1765	0.854	6	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(OC)	C(CCCO)(CH3)(H)2	C(CCCO)(CH3)(H)2	C(CCHH)3(OC)	C(CCCO)(CH3)(H)2	C(CCCO)(CH3)(H)2	112.0520	0.694	3	112.0520	0.481	3	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(OH)	C(CCCO)(CH3)(H)2	C(CCCO)(CH3)(H)2	C(CCHH)3(OH)	C(CCCO)(CH3)(H)2	C(CCCO)(CH3)(H)2	111.4261	1.519	12	111.4261	2.306	12	111.9336	2.466	30	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	102.9070	0.000	1	102.9070	0.000	1	102.9070	0.000	1	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(CCHH)(H)2	109.8710	1.574	2	109.8710	2.478	2	109.5740	10.204	4	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	105.5500	0.000	1	105.5500	0.000	1	109.5740	10.204	4	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCHH)(CH3)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CC[3]HH)(CCCO)(H)2	113.0040	0.000	1	113.0040	0.000	1	109.5740	10.204	4	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(OH)	C(NCoCH)(CCCO)(H)2	C(NCoCH)(CCCO)(H)2	C(CHHN)3(OH)	C(NCoCH)(CCCO)(H)2	C(NCoCH)(CCCO)(H)2	111.8200	0.229	3	111.8200	0.053	3	111.8200	0.053	3	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CC[5]CO)(CF3)(F)2	C(CC[5]CO)(CF3)(F)2	C(C[5]C[5]O[5]H)(CCFF)2(OH)	C(CC[5]CO)(CF3)(F)2	C(CC[5]CO)(CF3)(F)2	110.8068	0.684	9	110.8068	0.468	9	110.8068	0.468	9	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]N[5]H)(CCHH)2(OC)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(CH3)(H)2	111.1540	0.000	1	111.1540	0.000	1	112.1425	1.954	2	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(CH3)(H)2	C(C[5]C[5]O[5]H)(CCHH)2(OH)	C(CC[5]CO)(CH3)(H)2	C(CC[5]CO)(CH3)(H)2	113.1310	0.000	1	113.1310	0.000	1	112.1425	1.954	2	111.3531	4.103	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CHHO)(OH)(H)	C(CCHH)(CCHO)(CH3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CHHO)(OH)(H)	109.1090	0.591	2	109.1090	0.349	2	109.1090	0.349	2	111.7798	7.268	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[3]HH)(CCHO)(CH3)(OC)	C(C[3]C[3]O[3]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	115.4540	0.003	2	115.4540	0.000	2	115.4540	0.000	2	111.7798	7.268	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OC)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	110.4620	0.000	1	110.4620	0.000	1	111.2780	2.752	4	111.7798	7.268	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	C(CC[5]HH)(CCHO)(CH3)(OH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C(CCCO)(CCHH)(OH)(H)	113.7010	0.000	1	113.7010	0.000	1	111.2780	2.752	4	111.7798	7.268	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C(CCCO)(CCHO)(OC)(H)	110.4745	0.654	2	110.4745	0.428	2	111.2780	2.752	4	111.7798	7.268	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:3:1:	C-4:C-4:C-4:O-2:	C[5,5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CCCO)(CCHH)(CCO)(H)	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C(CCCO)(CCHH)(CCO)(H)	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	115.9735	1.673	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:3:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	C(CCCO)(CCHH)(CCH)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	C(CCCO)(CCHH)(CCH)(H)	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	115.9735	1.673	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH3)2(H)	112.0110	0.000	1	112.0110	0.000	1	111.4747	0.351	3	111.7594	0.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CC[5]HH)(CCCO)(H)2	C(CCCO)(CH3)2(H)	110.8390	0.000	1	110.8390	0.000	1	111.4747	0.351	3	111.7594	0.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)2(H)	C(CCCH)(CCHH)2(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)2(H)	111.5740	0.000	1	111.5740	0.000	1	111.4747	0.351	3	111.7594	0.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(CCHH)(CCHO)(H)	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(C[5]C[5]2H)(CCCO)(H)2	C(CCCO)(CCHH)(CCHO)(H)	112.1865	0.134	2	112.1865	0.018	2	112.1865	0.018	2	111.7594	0.332	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)3	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)3	111.9650	0.273	2	111.9650	0.074	2	111.5357	0.590	3	111.5357	0.590	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)3	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(CH3)3	110.6770	0.000	1	110.6770	0.000	1	111.5357	0.590	3	111.5357	0.590	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(Br)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(Br)(H)2	106.2850	0.000	1	106.2850	0.000	1	108.9905	14.639	2	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(Br)(H)2	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(Br)(H)2	111.6960	0.000	1	111.6960	0.000	1	108.9905	14.639	2	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CBrHH)(CCHO)(CH3)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(H)3	111.7720	0.000	1	111.7720	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	112.5700	0.000	1	112.5700	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	111.0357	2.347	3	111.0357	5.511	3	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	113.4420	0.569	3	113.4420	0.324	3	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	110.7617	2.150	3	110.7617	4.623	3	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CHHO)(OH)(H)	C(CCCO)(H)3	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CHHO)(OH)(H)	C(CCCO)(H)3	111.2110	0.419	2	111.2110	0.175	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	111.2340	2.557	2	111.2340	6.538	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	110.2400	2.766	2	110.2400	7.652	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	111.4405	1.165	4	111.4405	1.358	4	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	111.7087	0.806	10	111.7087	0.650	10	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(OH)(H)	C(CCCO)(H)3	110.6000	1.717	4	110.6000	2.947	4	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(OH)	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)(CH3)2(OH)	C(CC[6a]HN)(CCCO)(OH)(H)	C(CCCO)(H)3	112.3015	0.129	2	112.3015	0.017	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(H)3	111.9070	0.000	1	111.9070	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	C(CCCO)(H)3	109.1100	0.061	2	109.1100	0.004	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(H)3	111.3340	0.000	1	111.3340	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	110.6880	0.156	2	110.6880	0.024	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(H)3	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(H)3	111.9490	0.000	1	111.9490	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CC[3]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	108.3600	0.007	2	108.3600	0.000	2	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	112.1350	0.000	1	112.1350	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	C(CC[5]HH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(H)3	112.6770	0.000	1	112.6770	0.000	1	111.2833	2.335	48	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[3]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HO)(CH3)2(OC)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CC[3]HO)(CH3)2(OC)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	C(CCCO)(H)3	110.5330	1.918	2	110.5330	3.677	2	110.5330	3.677	2	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	109.0198	1.475	8	109.0198	2.175	8	110.1432	3.878	21	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(H)3	110.2357	0.713	3	110.2357	0.509	3	110.1432	3.878	21	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(OH)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CC[5]HO)(CH3)2(OH)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C(CCCO)(H)3	111.0143	2.201	10	111.0143	4.846	10	110.1432	3.878	21	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CCCO)(H)3	109.3800	0.000	1	109.3800	0.000	1	110.4177	3.831	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CCCO)(H)3	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CCCO)(H)3	110.2250	0.000	1	110.2250	0.000	1	110.4177	3.831	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(OC)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OC)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CCCO)(H)3	109.9755	2.016	2	109.9755	4.064	2	110.4177	3.831	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)2(OH)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CCCO)(H)3	C(CC[6]HO)(CH3)2(OH)	C(C[6]C[6]O[6]H)(CCCO)(OC)(H)	C(CCCO)(H)3	111.4750	3.369	2	111.4750	11.348	2	110.4177	3.831	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CCHH)(OH)(H)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CCHH)(OH)(H)	C(CC[5]CO)(H)3	110.7514	0.546	5	110.7514	0.298	5	110.6940	0.258	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(CC[5]CO)(H)3	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(OH)	C(CC[5]CO)(CC[5]HH)(OH)(H)	C(CC[5]CO)(H)3	110.4070	0.000	1	110.4070	0.000	1	110.6940	0.258	6	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(CCHH)(OC)(H)	C(CC[6]CO)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)(OH)	C(CC[6]CO)(CCHH)(OC)(H)	C(CC[6]CO)(H)3	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	110.8343	2.992	86	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCH)(H)2	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	115.1310	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:3:2:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-3:O-2:H-1:	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(CCH)(OH)(H)	C(CCHO)2(CH3)(OSi)	C(CCCO)(CHHO)(OC)(H)	C(CCCO)(CCH)(OH)(H)	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.1840	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CBrHH)(CCHH)(CCHO)(OH)	C(CBrHH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	111.6630	0.000	1	111.6630	0.000	1	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	112.9980	0.000	1	112.9980	0.000	1	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OC)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	111.9795	1.206	2	111.9795	1.454	2	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OC)(H)	C(CCCO)(CCHH)(H)2	109.2437	0.534	3	109.2437	0.285	3	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CCCO)(CCHH)(H)2	111.3435	0.097	2	111.3435	0.009	2	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCCO)(H)2	C(CCHH)(CCHO)(CH3)(OH)	C(CCCO)(CCHH)(OH)(H)	C(CC[6]HH)(CCCO)(H)2	111.5280	0.000	1	111.5280	0.000	1	111.0566	2.013	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(CCHH)(H)2	C(CC[5]HO)(CCHH)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(CCCO)(CCHH)(H)2	112.0103	1.612	3	112.0103	2.599	3	112.0103	2.599	3	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(C[5]C[5]O[5]C)(CCCO)(H)2	115.4600	1.222	2	115.4600	1.493	2	113.0323	2.482	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C(CC[5]HH)(CC[5]HO)(CH3)(OH)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	112.4254	0.934	8	112.4254	0.872	8	113.0323	2.482	10	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	110.7800	0.000	1	110.7800	0.000	1	109.8965	1.561	2	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	C(CC[6]HO)(CCHH)(CH3)(OH)	C(C[6]C[6]O[6]H)(CCCO)(OH)(H)	C(CCCO)(CCHH)(H)2	109.0130	0.000	1	109.0130	0.000	1	109.8965	1.561	2	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C-4:C-4:Si-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	C(CSiCO)(CCHH)(H)2	C(CCHH)(CCHO)(SiC3)(OH)	C(CSiCO)(CHHO)(OC)(H)	C(CSiCO)(CCHH)(H)2	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:1:1:	C[6]-4:C-4:C-4:N-2:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CCHH)(OC)(H)	C(CC[6]CN)(CF3)(H)2	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CCHH)(OC)(H)	C(CC[6]CN)(CF3)(H)2	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	111.8486	3.209	27	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(OC)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OH)(H)	C(CCCO)(CCHH)(OC)(H)	107.9300	0.000	1	107.9300	0.000	1	110.3810	4.507	3	111.4732	8.914	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	C(CCCO)(CCHH)(OH)(H)	C(CCHO)2(CH3)(OH)	C(CCCH)(CCCO)(OSi)(H)	C(CCCO)(CCHH)(OH)(H)	111.6065	0.050	2	111.6065	0.003	2	110.3810	4.507	3	111.4732	8.914	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CCCO)(CCHO)(OC)(H)	C(CC[5]HH)(CC[5]HO)(CCHO)(OH)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C(CCCO)(CCHO)(OC)(H)	113.1115	4.207	2	113.1115	17.695	2	113.1115	17.695	2	111.4732	8.914	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(F)3	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(F)3	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(H)3	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OH)	C(CCCO)(CH3)(CCH)(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	C(CCCO)(CH3)(CCH)(H)	C(CCCO)(H)3	111.3940	2.423	2	111.3940	5.869	2	111.4575	3.794	4	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OH)	C(CC[4]CH)(CCCO)(CCH)(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	C(CC[4]CH)(CCCO)(CCH)(H)	C(CCCO)(H)3	111.5210	2.345	2	111.5210	5.498	2	111.4575	3.794	4	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCCO)(H)3	C(CCHN)(CH3)2(OH)	C(CC[6a]HH)(CCCO)(NCH)(H)	C(CCCO)(H)3	110.4365	2.314	2	110.4365	5.356	2	110.4365	5.356	2	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-4:C-3:H-1:	C-4:F-1:F-1:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	C(CCCO)(F)2(H)	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	C(CCCO)(F)2(H)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	C(CCCO)(H)3	C(CCHN)(CFFH)(CH3)(OH)	C(CCCO)(NH3)(COO)(H)	C(CCCO)(H)3	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]CH)(CH3)2(OH)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C(CCCO)(H)3	C(CC[6]CH)(CH3)2(OH)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C(CCCO)(H)3	111.5245	1.893	2	111.5245	3.583	2	111.5245	3.583	2	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(OH)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CCCO)(H)3	C(CC[6]HN)(CH3)2(OH)	C(C[6]C[6]2Cr)(CCCO)(NCO)(H)	C(CCCO)(H)3	112.4675	4.863	2	112.4675	23.647	2	112.4675	23.647	2	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	C-4:N-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SC)	C(CCCS)(NCHH)(COO)(H)	C(CCCS)(H)3	C(CCHN)(CH3)2(SC)	C(CCCS)(NCHH)(COO)(H)	C(CCCS)(H)3	111.3498	2.290	4	111.3498	5.243	4	111.3498	5.243	4	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SPd)	C(NPdHH)(CCCS)(COO)(H)	C(CCCS)(H)3	C(CCHN)(CH3)2(SPd)	C(NPdHH)(CCCS)(COO)(H)	C(CCCS)(H)3	111.6345	0.671	6	111.6345	0.451	6	111.0025	1.449	12	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:S-2:	N-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(SRe)	C(NReHH)(CCCS)(COO)(H)	C(CCCS)(H)3	C(CCHN)(CH3)2(SRe)	C(NReHH)(CCCS)(COO)(H)	C(CCCS)(H)3	110.3705	1.333	6	110.3705	1.777	6	111.0025	1.449	12	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:1:1:1:	C-4:C-4:P-4:O-2:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	C(CCOP)(H)3	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	C(CCOP)(H)3	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	111.2566	3.706	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]CH)(CCHH)2(OH)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	C(CCCO)(CCH)(H)2	C(CC[6]CH)(CCHH)2(OH)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	C(CCCO)(CCH)(H)2	110.5450	0.298	2	110.5450	0.089	2	110.5450	0.089	2	110.5450	0.089	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCO)(H)	C(CC[3]HH)(CCCO)(H)2	C(CC[5,5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCO)(H)	C(CC[3]HH)(CCCO)(H)2	112.1900	0.000	1	112.1900	0.000	1	111.4385	1.130	2	111.4385	1.130	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCH)(H)	C(CC[3]HH)(CCCO)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCH)(H)	C(CC[3]HH)(CCCO)(H)2	110.6870	0.000	1	110.6870	0.000	1	111.4385	1.130	2	111.4385	1.130	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:3:2:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CF3)(COO)(OH)	C(CCCO)(CCHH)(H)2	C(CC[6a]HO)(CCCO)(CCHH)(OH)	C(CCCO)(CF3)(COO)(OH)	C(CCCO)(CCHH)(H)2	113.2840	0.645	2	113.2840	0.416	2	113.2840	0.416	2	113.2840	0.416	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(C[6a]C[6a]2)(CCCO)(H)2	113.9633	0.038	3	113.9633	0.001	3	113.9633	0.001	3	113.9633	0.001	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(F)3	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(F)3	110.3250	0.000	1	110.3250	0.000	1	110.3250	0.000	1	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OC)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OC)	C(CCCO)(CCHO)(CHHO)(H)	C(CCCO)(H)3	111.8480	0.925	2	111.8480	0.855	2	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OC)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OC)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	111.6530	1.305	2	111.6530	1.704	2	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	C(CC[3,5]HH)(CCCO)(CCHH)(H)	C(CCCO)(H)3	111.5195	1.270	8	111.5195	1.612	8	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCO)(H)3	C(CCCH)(CH3)2(OH)	C(CC[5]HH)(CCCO)(CCHH)(H)	C(CCCO)(H)3	111.8445	0.269	2	111.8445	0.073	2	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CH3)(OC)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	C(CCCH)2(CH3)(OC)	C(CCCO)(CH3)2(H)	C(CCCO)(H)3	111.8650	0.000	1	111.8650	0.000	1	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CC[6a]HH)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCO)(H)3	110.5713	0.305	3	110.5713	0.093	3	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HH)(CCCO)(CH3)(H)	C(CCCO)(H)3	109.8880	0.000	1	109.8880	0.000	1	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCO)(H)3	C(CC[6a]HO)(CCCH)(CH3)(OH)	C(CC[6a]HO)(CCCO)(CH3)(H)	C(CCCO)(H)3	109.6160	0.163	2	109.6160	0.026	2	111.2165	1.269	21	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(O)	C(CCCO)(H)3	111.9843	1.109	8	111.9843	1.230	8	111.9843	1.230	8	111.3915	1.331	30	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCHH)(CH3)(H)	C(CCCO)(CCH)(H)2	C(CCCH)2(CCHH)(OH)	C(CCCO)(CCHH)(CH3)(H)	C(CCCO)(CCH)(H)2	114.0810	0.065	2	114.0810	0.004	2	114.0810	0.004	2	114.0810	0.004	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(CH3)(H)2	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	109.9367	2.203	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCHO)(H)	C(CCCO)(CCHH)(H)2	C(CC[5]HH)(CCCH)(CCHH)(OH)	C(CCCO)(CCHH)(CCHO)(H)	C(CCCO)(CCHH)(H)2	109.0800	0.055	2	109.0800	0.003	2	109.0800	0.003	2	109.9367	2.203	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)3(OBi)	C(CCCO)(CH3)2(H)	C(CCCO)(CH3)2(H)	C(CCCH)3(OBi)	C(CCCO)(CH3)2(H)	C(CCCO)(CH3)2(H)	111.7401	3.325	9	111.7401	11.057	9	111.7401	11.057	9	111.6662	9.883	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:1:	4:4:4:1:	C[3]-4:C-4:C-4:O-2:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(C[3]C[3]2C)(CCCH)2(OH)	C(CC[3]CO)(CH3)2(H)	C(CC[3]CO)(CH3)2(H)	C(C[3]C[3]2C)(CCCH)2(OH)	C(CC[3]CO)(CH3)2(H)	C(CC[3]CO)(CH3)2(H)	111.0010	0.000	1	111.0010	0.000	1	111.0010	0.000	1	111.6662	9.883	10	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	111.3253	1.794	4	111.3253	3.219	4	111.3253	3.219	4	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OCo)	C(CCCO)(CF3)2(OCo)	C(CCCO)(F)3	C(CCCO)(CF3)2(OCo)	C(CCCO)(CF3)2(OCo)	C(CCCO)(F)3	113.4130	2.840	8	113.4130	8.068	8	113.6983	5.993	27	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OFe)	C(CCCO)(CF3)2(OFe)	C(CCCO)(F)3	C(CCCO)(CF3)2(OFe)	C(CCCO)(CF3)2(OFe)	C(CCCO)(F)3	113.7968	2.860	4	113.7968	8.180	4	113.6983	5.993	27	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:F-1:F-1:F-1:	C(CCCO)(CF3)2(OSn)	C(CCCO)(CF3)2(OSn)	C(CCCO)(F)3	C(CCCO)(CF3)2(OSn)	C(CCCO)(CF3)2(OSn)	C(CCCO)(F)3	113.8242	2.297	15	113.8242	5.277	15	113.6983	5.993	27	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(H)3	112.5080	1.348	2	112.5080	1.816	2	111.8834	2.155	38	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	C(CCCO)(CH3)2(OH)	C(CCCO)(CH3)2(OH)	C(CCCO)(H)3	111.8487	1.484	36	111.8487	2.203	36	111.8834	2.155	38	112.5612	4.466	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:2:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:C-2:H-1:H-1:	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CCHH)(CH3)(OH)	C(CCCO)(CC)(H)2	111.0215	0.431	2	111.0215	0.185	2	111.0215	0.185	2	111.0215	0.185	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C(CCHH)2(CC3)(CC)	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(CC)	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	111.9980	2.927	2	111.9980	8.570	2	111.9980	8.570	2	111.7092	2.233	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:4:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)2(OH)	C(CCCO)(CCHH)(H)2	112.3268	0.360	4	112.3268	0.130	4	112.3268	0.130	4	111.7092	2.233	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:4:1:1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(C[5]C[5]2Fe)(CC[5]CO)(CCHH)(OH)	C(CC[5]CO)(CC[5]HH)(H)2	110.1855	0.581	2	110.1855	0.337	2	110.1855	0.337	2	111.7092	2.233	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	111.5060	1.458	2	111.5060	2.126	2	111.5060	2.126	2	111.9300	2.164	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC3)(CF3)2(OAl)	C(CCCO)(CH3)2(CCN)	C(CCCO)(F)3	C(CC3)(CF3)2(OAl)	C(CCCO)(CH3)2(CCN)	C(CCCO)(F)3	111.8817	1.607	4	111.8817	2.584	4	112.0713	2.509	6	111.9300	2.164	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C(CC3)(CF3)2(OH)	C(CCCO)(CH3)2(CCN)	C(CCCO)(F)3	C(CC3)(CF3)2(OH)	C(CCCO)(CH3)2(CCN)	C(CCCO)(F)3	112.4505	2.088	2	112.4505	4.360	2	112.0713	2.509	6	111.9300	2.164	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)2(CH3)(OCr)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(CC3)2(CH3)(OCr)	C(CCCO)(CH3)3	C(CCCO)(H)3	109.0817	0.334	18	109.0817	0.111	18	108.6680	0.423	63	108.6680	0.423	63	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)2(CH3)(OFe)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(CC3)2(CH3)(OFe)	C(CCCO)(CH3)3	C(CCCO)(H)3	108.5498	0.687	33	108.5498	0.472	33	108.6680	0.423	63	108.6680	0.423	63	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)2(CH3)(OMn)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(CC3)2(CH3)(OMn)	C(CCCO)(CH3)3	C(CCCO)(H)3	108.1855	0.708	6	108.1855	0.501	6	108.6680	0.423	63	108.6680	0.423	63	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)2(CH3)(OV)	C(CCCO)(CH3)3	C(CCCO)(H)3	C(CC3)2(CH3)(OV)	C(CCCO)(CH3)3	C(CCCO)(H)3	108.5593	0.582	6	108.5593	0.339	6	108.6680	0.423	63	108.6680	0.423	63	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CH3)(OCr)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OCr)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	118.1369	0.587	9	118.1369	0.344	9	117.2403	0.562	32	117.2403	0.562	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CH3)(OFe)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OFe)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	116.9103	0.514	17	116.9103	0.264	17	117.2403	0.562	32	117.2403	0.562	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CH3)(OMn)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OMn)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	116.7850	0.194	3	116.7850	0.038	3	117.2403	0.562	32	117.2403	0.562	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:2:	4:4:4:4:	4:4:4:4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C(CC3)2(CH3)(OV)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OV)	C(CCCO)(CH3)3	C(CCCO)(CH3)3	116.8753	0.358	3	116.8753	0.128	3	117.2403	0.562	32	117.2403	0.562	32	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:N-3:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)3(NHS)	C(OC[6a])(CCCN)(H)2	C(OC[6a])(CCCN)(H)2	C(CHHO)3(NHS)	C(OC[6a])(CCCN)(H)2	C(OC[6a])(CCCN)(H)2	109.0343	1.439	3	109.0343	2.070	3	109.0343	2.070	3	109.0343	2.070	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCH)	C(OC[3])(CCCN)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NCH)	C(OC[3])(CCCN)(H)2	C(CCCN)(H)3	108.7300	2.437	2	108.7300	5.937	2	108.7300	5.937	2	108.7300	5.937	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	S-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHS)(CNO)	C(SC[6a])(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	C(SC[6a])(CC3)(H)2	C(CCHH)(CC3)(H)2	108.6175	0.709	2	108.6175	0.503	2	108.6175	0.503	2	108.6175	0.503	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(COO)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC3)(H)3	C(CC[6]HN)(CH3)2(COO)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C(CC3)(H)3	111.4515	0.118	2	111.4515	0.014	2	111.4515	0.014	2	112.3306	8.675	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	112.3306	8.675	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC3)(H)3	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC3)(H)3	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	112.3306	8.675	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]H)(CH3)2(NOO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C(CCCN)(H)3	C(CC[6a]C[5]H)(CH3)2(NOO)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCCN)(H)	C(CCCN)(H)3	113.2205	3.129	8	113.2205	9.790	8	113.2205	9.790	8	112.3306	8.675	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:2:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(OC)(H)2	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:N-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(NC[6a]H)(CC3)(H)	C(CC3)(CH3)(H)2	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CHO)	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CHO)	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	110.4597	3.198	4	110.4597	10.227	4	110.2318	7.930	5	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	109.3200	0.000	1	109.3200	0.000	1	110.2318	7.930	5	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	110.3945	0.262	2	110.3945	0.069	2	110.1401	2.674	45	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	110.0617	1.634	42	110.0617	2.670	42	110.1401	2.674	45	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	112.9240	0.000	1	112.9240	0.000	1	110.1401	2.674	45	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(N[5]C[5]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(N[5]C[5]2)(CC3)(H)2	C(CC3)(H)3	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(CNO)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CH3)2(CNO)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(H)3	108.5830	3.912	2	108.5830	15.302	2	108.5830	15.302	2	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(COO)	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	C(CN[6]HH)(CH3)2(COO)	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	108.7925	3.113	2	108.7925	9.693	2	108.7925	9.693	2	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(PC[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(PC[6a]2)(CC3)(H)2	C(CC3)(H)3	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHS)(CH3)(CHN)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHS)(CH3)(CHN)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CC[5]C)(CCCN)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CC[5]C)(CCCN)(H)2	C(CCCN)(H)3	110.3297	1.547	4	110.3297	2.392	4	110.3297	2.392	4	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(NOO)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C(CCCN)(H)3	C(CC[5a]HH)(CH3)2(NOO)	C(C[5a]C[5a,6a]C[5a])(CCCN)(H)2	C(CCCN)(H)3	111.9345	2.297	2	111.9345	5.278	2	111.9345	5.278	2	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(NOO)	C(C[6]C[6]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6]HH)(CH3)2(NOO)	C(C[6]C[6]2)(CCCN)(H)2	C(CCCN)(H)3	112.2365	2.123	2	112.2365	4.509	2	112.2365	4.509	2	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	109.8178	0.739	12	109.8178	0.546	12	109.8178	0.546	12	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)(NH3)(COO)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	110.8020	0.000	1	110.8020	0.000	1	110.8020	0.000	1	110.0846	2.976	78	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(SC)(H)2	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(SC)(H)2	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-3:	C[6]-3:C-4:H-1:O-1:	C-4:C-3:H-1:H-1:	C(CC[6]HO)(CCHH)2(CCS)	C(C[6]C[6]2)(CC3)(H)(O)	C(CC3)(CHH)(H)2	C(CC[6]HO)(CCHH)2(CCS)	C(C[6]C[6]2)(CC3)(H)(O)	C(CC3)(CHH)(H)2	108.2510	0.000	2	108.2510	0.000	2	108.2510	0.000	2	108.2510	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6]-3:C-4:H-1:O-1:	C-4:C-4:H-1:H-1:	C(CC[6]HO)(CCHH)2(CCS)	C(C[6]C[6]2)(CC3)(H)(O)	C(CCHH)(CC3)(H)2	C(CC[6]HO)(CCHH)2(CCS)	C(C[6]C[6]2)(CC3)(H)(O)	C(CCHH)(CC3)(H)2	110.6660	0.000	2	110.6660	0.000	2	110.6660	0.000	2	110.6660	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]O)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC[6a]O)(CC3)(H)2	104.8750	0.000	1	104.8750	0.000	1	104.8750	0.000	1	104.2150	0.871	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	3:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(N[5]C[5]2)(CC3)(H)2	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(N[5]C[5]2)(CC3)(H)2	103.5550	0.000	1	103.5550	0.000	1	103.5550	0.000	1	104.2150	0.871	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HO)(CH3)2(CCS)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC3)(H)3	C(CC[5a]HO)(CH3)2(CCS)	C(C[5a]C[5a]O[5a])(CC3)(OH)(H)	C(CC3)(H)3	109.6615	0.500	2	109.6615	0.250	2	109.6615	0.250	2	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCC)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	109.7410	0.000	1	109.7410	0.000	1	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	110.7550	0.000	1	110.7550	0.000	1	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	109.9310	0.000	2	109.9310	0.000	2	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	108.4410	0.096	4	108.4410	0.009	4	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	110.6150	0.049	2	110.6150	0.002	2	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	108.0980	0.000	1	108.0980	0.000	1	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CN[5]HH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	109.9190	0.000	1	109.9190	0.000	1	109.4474	1.010	12	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5a]-3:C-4:O-2:H-1:	C-4:F-1:F-1:F-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CCCN)(F)3	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CCCN)(F)3	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CCCN)(H)3	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(C[5a]C[5a]O[5a])(CCCN)(OC)(H)	C(CCCN)(H)3	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	109.5925	1.408	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CCHH)(CC3)(H)2	106.1300	0.000	1	106.1300	0.000	1	107.5733	1.562	3	106.5468	5.257	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CCHH)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CCHH)(CC3)(H)2	108.2950	0.000	2	108.2950	0.000	2	107.5733	1.562	3	106.5468	5.257	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:H-1:H-1:	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(SC[6a]OO)(CC3)(H)2	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(SC[6a]OO)(CC3)(H)2	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	106.5468	5.257	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	P-3:C-4:H-1:H-1:	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(PC[6a]2)(CC3)(H)2	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(PC[6a]2)(CC3)(H)2	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CCH)	C(CN[5]O)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(CCH)	C(CN[5]O)(CC3)(NCH)(H)	C(CC3)(H)3	108.6670	0.308	2	108.6670	0.095	2	108.6670	0.095	2	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCO)	C(C[6a]C[6a]2)(CC3)(CCC)(H)	C(CC3)(H)3	109.8160	0.535	2	109.8160	0.286	2	110.6735	4.932	4	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(H)3	111.5310	3.401	2	111.5310	11.568	2	110.6735	4.932	4	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC3)(H)3	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC3)(H)3	110.8290	0.000	1	110.8290	0.000	1	109.7235	3.854	10	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(CNO)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(CNO)	C(C[6a]C[6a]2)(CC3)(NCH)(H)	C(CC3)(H)3	109.3202	1.899	6	109.3202	3.605	6	109.7235	3.854	10	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(COO)	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC3)(H)3	110.7090	3.476	2	110.7090	12.084	2	109.7235	3.854	10	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC3)(H)3	C(CC[6a]HN)(CHHP)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	C(CC3)(H)3	109.0670	0.000	1	109.0670	0.000	1	109.7235	3.854	10	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CCCN)(H)3	C(CC[6a]HN)(CH3)2(NCH)	C(C[6a]C[6a]2)(CCCN)(NCH)(H)	C(CCCN)(H)3	111.5090	2.626	2	111.5090	6.897	2	111.5090	6.897	2	110.0156	3.950	18	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC3)(CH3)(H)2	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(C[6a]C[6a]2)(CC3)(NHH)(H)	C(CC3)(CH3)(H)2	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.0000	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(CCH)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCH)	C(C[6a]C[6a]2)(CHHN)(CC3)(H)	C(CC3)(H)3	109.1915	0.407	2	109.1915	0.165	2	109.1915	0.165	2	109.2051	0.264	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HP)(CH3)2(CCN)	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C(CC3)(H)3	C(CC[6a]HP)(CH3)2(CCN)	C(C[6a]C[6a]2)(PC[6a]PdC)(CC3)(H)	C(CC3)(H)3	109.2035	0.689	2	109.2035	0.475	2	109.2035	0.475	2	109.2051	0.264	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CCN)	C(NC[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(CCN)	C(NC[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	108.7475	0.309	2	108.7475	0.095	2	108.7475	0.095	2	109.2051	0.264	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCCN)(F)3	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCCN)(F)3	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	109.2051	0.264	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCCN)(H)3	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(C[6a]C[6a]2)(CCCN)(CCHH)(H)	C(CCCN)(H)3	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	109.2051	0.264	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(H)3	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(H)3	110.1245	0.298	2	110.1245	0.089	2	110.5563	1.483	6	110.5563	1.483	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(H)3	110.8970	0.751	2	110.8970	0.564	2	110.5563	1.483	6	110.5563	1.483	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CC3)(OH)	C(CC3)(H)3	110.6475	2.478	2	110.6475	6.143	2	110.5563	1.483	6	110.5563	1.483	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CCHH)(CC3)(H)2	109.4610	0.055	2	109.4610	0.003	2	110.1600	1.972	4	110.1600	1.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CC3)(CH3)(H)2	109.4520	0.000	1	109.4520	0.000	1	110.1600	1.972	4	110.1600	1.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CCHH)(CC3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(C[6a]C[6a]2)(CC3)(CH3)(OH)	C(CCHH)(CC3)(H)2	112.2660	0.000	1	112.2660	0.000	1	110.1600	1.972	4	110.1600	1.972	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BH3)(CH3)2(PCC)	C(CBCP)(H)3	C(CBCP)(H)3	C(BH3)(CH3)2(PCC)	C(CBCP)(H)3	C(CBCP)(H)3	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CH3)2(CNO)	C(CC3)(Cl)(H)2	C(CC3)(H)3	C(CClHH)(CH3)2(CNO)	C(CC3)(Cl)(H)2	C(CC3)(H)3	108.6232	1.776	4	108.6232	3.153	4	108.6232	3.153	4	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(CH3)(CNO)	C(CC3)(F)3	C(CC3)(F)3	C(CF3)2(CH3)(CNO)	C(CC3)(F)3	C(CC3)(F)3	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CF3)2(CH3)(CNO)	C(CC3)(F)3	C(CC3)(H)3	C(CF3)2(CH3)(CNO)	C(CC3)(F)3	C(CC3)(H)3	108.6450	0.652	2	108.6450	0.425	2	108.6450	0.425	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CC3)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	107.2152	1.609	4	107.2152	2.588	4	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CCCH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	110.6185	0.568	2	110.6185	0.322	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CCCO)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	107.7453	1.435	3	107.7453	2.059	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCC)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CCC)	C(CC3)(H)3	C(CC3)(H)3	107.4218	1.381	10	107.4218	1.908	10	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	109.3402	0.447	13	109.3402	0.200	13	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	109.3450	0.194	2	109.3450	0.038	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CHO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CHO)	C(CC3)(H)3	C(CC3)(H)3	110.1695	0.107	2	110.1695	0.011	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.5884	0.889	9	109.5884	0.791	9	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	107.8892	4.417	9	107.8892	19.507	9	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	109.7195	0.445	2	109.7195	0.198	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	107.4790	0.000	1	107.4790	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	108.6053	0.333	3	108.6053	0.111	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.2548	0.764	5	109.2548	0.584	5	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	108.9754	0.843	12	108.9754	0.711	12	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	109.1666	0.706	11	109.1666	0.498	11	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.8360	0.088	2	109.8360	0.008	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHW)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CCHW)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	109.7320	0.000	1	109.7320	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CC[3]HH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	109.2670	0.000	1	109.2670	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]CC)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	105.0563	0.717	3	105.0563	0.514	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.9350	0.000	1	109.9350	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(CHO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HO)(CH3)2(CHO)	C(CC3)(H)3	C(CC3)(H)3	110.0270	0.799	5	110.0270	0.639	5	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HO)(CH3)2(CCS)	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]HO)(CH3)2(CCS)	C(CC3)(H)3	C(CC3)(H)3	108.9530	0.000	1	108.9530	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]HN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	108.5570	0.000	1	108.5570	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	107.6560	0.000	1	107.6560	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	107.1600	0.000	1	107.1600	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.5710	0.000	1	109.5710	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	108.1255	0.265	2	108.1255	0.070	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	110.0620	0.000	1	110.0620	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.7452	0.588	21	109.7452	0.346	21	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	108.6097	0.267	3	108.6097	0.071	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HN)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.6170	0.000	1	109.6170	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	109.3390	0.109	2	109.3390	0.012	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HO)(CH3)2(CCO)	C(CC3)(H)3	C(CC3)(H)3	110.0070	0.000	1	110.0070	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HP)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HP)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	105.3140	0.000	1	105.3140	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CClHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.4305	0.009	2	109.4305	0.000	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCC)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCC)	C(CC3)(H)3	C(CC3)(H)3	108.0238	1.793	117	108.0238	3.214	117	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCF)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCF)	C(CC3)(H)3	C(CC3)(H)3	109.0878	1.379	9	109.0878	1.902	9	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCH)	C(CC3)(H)3	C(CC3)(H)3	109.0108	0.998	232	109.0108	0.996	232	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCN)	C(CC3)(H)3	C(CC3)(H)3	107.7506	1.804	668	107.7506	3.254	668	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCO)	C(CC3)(H)3	C(CC3)(H)3	109.1767	1.849	597	109.1767	3.417	597	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CCP)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CCP)	C(CC3)(H)3	C(CC3)(H)3	107.9361	1.590	41	107.9361	2.527	41	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CHN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CHN)	C(CC3)(H)3	C(CC3)(H)3	109.6170	0.960	6	109.6170	0.921	6	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CHP)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CHP)	C(CC3)(H)3	C(CC3)(H)3	109.6724	0.509	9	109.6724	0.259	9	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CHV)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CHV)	C(CC3)(H)3	C(CC3)(H)3	108.6920	1.260	3	108.6920	1.587	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CHW)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CHW)	C(CC3)(H)3	C(CC3)(H)3	109.3953	1.054	18	109.3953	1.111	18	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CNN)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CNN)	C(CC3)(H)3	C(CC3)(H)3	108.6831	1.062	102	108.6831	1.127	102	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.4313	1.789	862	109.4313	3.199	862	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CNP)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CNP)	C(CC3)(H)3	C(CC3)(H)3	108.7355	2.330	14	108.7355	5.430	14	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(COO)	C(CC3)(H)3	C(CC3)(H)3	109.7944	2.159	794	109.7944	4.663	794	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(COS)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(COS)	C(CC3)(H)3	C(CC3)(H)3	109.8134	1.535	15	109.8134	2.357	15	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(CPW)	C(CC3)(H)3	C(CC3)(H)3	C(CH3)3(CPW)	C(CC3)(H)3	C(CC3)(H)3	109.0598	0.982	5	109.0598	0.964	5	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(CHN)	C(CC3)(H)3	C(CC3)(H)3	C(CHHN)(CH3)2(CHN)	C(CC3)(H)3	C(CC3)(H)3	109.6070	0.446	3	109.6070	0.199	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CHHN)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.5100	0.000	1	109.5100	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CHHO)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	110.7380	0.141	2	110.7380	0.020	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CHHO)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	110.4995	0.401	4	110.4995	0.161	4	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CHHS)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	110.2260	0.000	1	110.2260	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]HH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	110.2010	0.000	1	110.2010	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CN[6]HH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	109.8910	0.000	1	109.8910	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CNiHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.3900	0.202	2	109.3900	0.041	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdCH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CPdCH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.5647	0.392	3	109.5647	0.153	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CH3)2(CCN)	C(CC3)(H)3	C(CC3)(H)3	109.0845	0.289	2	109.0845	0.084	2	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CH3)2(CNO)	C(CC3)(H)3	C(CC3)(H)3	109.1925	0.706	8	109.1925	0.498	8	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CH3)2(COO)	C(CC3)(H)3	C(CC3)(H)3	108.8320	0.000	1	108.8320	0.000	1	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	C(CPtHH)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(H)3	108.4010	0.303	3	108.4010	0.092	3	109.0318	3.807	3664	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	C(CCCN)(H)3	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(Cl)(H)2	C(CCCN)(H)3	106.2020	2.411	2	106.2020	5.814	2	106.2020	5.814	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	107.4415	0.501	4	107.4415	0.251	4	107.7710	1.087	7	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	108.5270	0.000	1	108.5270	0.000	1	107.7710	1.087	7	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(F)3	C(CCCN)(H)3	C(CC[5a]HO)(CF3)(CH3)(NHO)	C(CCCN)(F)3	C(CCCN)(H)3	109.5700	0.000	1	109.5700	0.000	1	107.7710	1.087	7	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	C(CC[6a]CH)(CF3)(CH3)(NHS)	C(CCCN)(F)3	C(CCCN)(H)3	106.5340	0.000	1	106.5340	0.000	1	107.7710	1.087	7	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	107.7830	0.000	1	107.7830	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	108.0480	0.000	1	108.0480	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	107.9095	0.858	2	107.9095	0.736	2	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	109.4409	0.819	30	109.4409	0.671	30	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	110.8250	0.000	1	110.8250	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	109.3870	1.759	2	109.3870	3.095	2	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHN)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	111.8640	0.000	1	111.8640	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[5]CH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	111.8660	0.000	1	111.8660	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[5]HH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	108.9190	0.000	1	108.9190	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[5a]HH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	112.3160	0.000	1	112.3160	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6]HH)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	111.3590	0.000	1	111.3590	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[5]H)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]C[5]H)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	111.0842	0.685	4	111.0842	0.469	4	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	109.9895	0.556	6	109.9895	0.309	6	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]HN)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	108.8020	0.000	1	108.8020	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NBB)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NBB)	C(CCCN)(H)3	C(CCCN)(H)3	108.3313	1.862	3	108.3313	3.468	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NBC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NBC)	C(CCCN)(H)3	C(CCCN)(H)3	108.1180	1.436	24	108.1180	2.061	24	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NBH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NBH)	C(CCCN)(H)3	C(CCCN)(H)3	109.4075	0.887	42	109.4075	0.786	42	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	109.0389	1.685	197	109.0389	2.839	197	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.1542	1.105	959	110.1542	1.220	959	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCN)	C(CCCN)(H)3	C(CCCN)(H)3	109.7037	1.425	24	109.7037	2.032	24	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	110.1180	1.392	134	110.1180	1.936	134	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCP)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCP)	C(CCCN)(H)3	C(CCCN)(H)3	108.5018	1.721	12	108.5018	2.962	12	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCU)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCU)	C(CCCN)(H)3	C(CCCN)(H)3	109.3099	1.555	29	109.3099	2.418	29	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCV)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCV)	C(CCCN)(H)3	C(CCCN)(H)3	109.4237	0.865	3	109.4237	0.749	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCW)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCW)	C(CCCN)(H)3	C(CCCN)(H)3	109.6131	2.279	12	109.6131	5.193	12	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NCY)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NCY)	C(CCCN)(H)3	C(CCCN)(H)3	108.4617	1.727	6	108.4617	2.982	6	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NHH)	C(CCCN)(H)3	C(CCCN)(H)3	111.2715	0.882	6	111.2715	0.779	6	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NHN)	C(CCCN)(H)3	C(CCCN)(H)3	109.7419	0.514	9	109.7419	0.264	9	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NHP)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NHP)	C(CCCN)(H)3	C(CCCN)(H)3	109.8767	0.765	83	109.8767	0.586	83	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	110.0351	0.827	33	110.0351	0.684	33	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NNO)	C(CCCN)(H)3	C(CCCN)(H)3	110.1162	1.410	6	110.1162	1.988	6	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NPP)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NPP)	C(CCCN)(H)3	C(CCCN)(H)3	108.7413	0.618	6	108.7413	0.381	6	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NPS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NPS)	C(CCCN)(H)3	C(CCCN)(H)3	109.8527	1.276	3	109.8527	1.628	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NPY)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NPY)	C(CCCN)(H)3	C(CCCN)(H)3	108.8522	0.804	12	108.8522	0.646	12	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NSU)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NSU)	C(CCCN)(H)3	C(CCCN)(H)3	109.5923	1.991	3	109.5923	3.963	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(CH3)2(NCC)	C(CCCN)(H)3	C(CCCN)(H)3	106.4746	1.582	5	106.4746	2.504	5	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.1591	0.229	7	110.1591	0.053	7	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(CH3)2(NCO)	C(CCCN)(H)3	C(CCCN)(H)3	107.9113	1.334	3	107.9113	1.779	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(CH3)2(NOO)	C(CCCN)(H)3	C(CCCN)(H)3	112.2425	0.829	2	112.2425	0.688	2	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHS)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	111.2870	4.141	3	111.2870	17.145	3	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHS)(CH3)2(NHS)	C(CCCN)(H)3	C(CCCN)(H)3	109.4080	0.000	1	109.4080	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHNO)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHNO)(CH3)2(NCH)	C(CCCN)(H)3	C(CCCN)(H)3	111.1770	0.000	1	111.1770	0.000	1	109.8707	1.784	1681	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(OWW)	C(CCCO)(H)3	C(CCCO)(H)3	C(CH3)3(OWW)	C(CCCO)(H)3	C(CCCO)(H)3	110.5027	2.051	3	110.5027	4.207	3	110.5027	4.207	3	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PBC)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PBC)	C(CCCP)(H)3	C(CCCP)(H)3	108.4330	1.106	48	108.4330	1.223	48	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PCC)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PCC)	C(CCCP)(H)3	C(CCCP)(H)3	108.5644	1.333	475	108.5644	1.777	475	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PCI)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PCI)	C(CCCP)(H)3	C(CCCP)(H)3	109.9713	0.261	3	109.9713	0.068	3	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PCN)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PCN)	C(CCCP)(H)3	C(CCCP)(H)3	108.7220	1.591	49	108.7220	2.530	49	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PCO)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PCO)	C(CCCP)(H)3	C(CCCP)(H)3	109.4004	1.387	30	109.4004	1.925	30	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PCP)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PCP)	C(CCCP)(H)3	C(CCCP)(H)3	108.4530	1.411	77	108.4530	1.990	77	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PNP)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PNP)	C(CCCP)(H)3	C(CCCP)(H)3	108.6007	1.273	9	108.6007	1.619	9	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(POO)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(POO)	C(CCCP)(H)3	C(CCCP)(H)3	110.2745	0.736	6	110.2745	0.541	6	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PPP)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PPP)	C(CCCP)(H)3	C(CCCP)(H)3	109.4469	0.811	11	109.4469	0.657	11	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PSS)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PSS)	C(CCCP)(H)3	C(CCCP)(H)3	109.6010	1.010	6	109.6010	1.021	6	108.6325	1.844	714	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SCN)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SCN)	C(CCCS)(H)3	C(CCCS)(H)3	111.4577	1.005	3	111.4577	1.009	3	111.3772	1.327	928	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SCO)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SCO)	C(CCCS)(H)3	C(CCCS)(H)3	111.0980	1.279	18	111.0980	1.636	18	111.3772	1.327	928	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SNO)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SNO)	C(CCCS)(H)3	C(CCCS)(H)3	111.3825	1.150	907	111.3825	1.323	907	111.3772	1.327	928	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(COO)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)2(NH3)(COO)	C(CCCN)(H)3	C(CCCN)(H)3	112.4810	0.062	6	112.4810	0.004	6	112.4810	0.004	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-4:N-3:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	C(CCNP)(F)3	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	C(CCNP)(F)3	109.2420	0.000	1	109.2420	0.000	1	109.2420	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	C(CCNP)(H)3	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	C(CCNP)(H)3	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(CCH)	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	107.9453	0.404	3	107.9453	0.163	3	107.9453	0.163	3	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(CNO)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	108.1750	0.000	1	108.1750	0.000	1	107.4780	0.972	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	106.7810	0.000	1	106.7810	0.000	1	107.4780	0.972	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)2(CCO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.8060	0.000	1	107.8060	0.000	1	107.5943	1.776	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.7860	0.000	1	107.7860	0.000	1	107.5943	1.776	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.1995	1.389	2	106.1995	1.931	2	107.5943	1.776	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)2(CHO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)2(CHO)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5350	0.000	1	108.5350	0.000	1	107.5943	1.776	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)2(CCH)	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0400	0.000	1	109.0400	0.000	1	107.5943	1.776	6	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	C(C[5]C[5,6a]C[5]H)(CH3)2(NCH)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	110.0390	0.000	1	110.0390	0.000	1	109.9800	0.007	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)2(NCC)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	C(C[5]C[5]N[5]H)(CH3)2(NCC)	C(CC[5]CN)(H)3	C(CC[5]CN)(H)3	109.9210	0.000	1	109.9210	0.000	1	109.9800	0.007	2	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.8710	0.000	1	107.8710	0.000	1	108.9269	1.232	10	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(CCC)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(CCC)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	106.4930	0.000	1	106.4930	0.000	1	108.9269	1.232	10	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.2996	0.620	7	109.2996	0.384	7	108.9269	1.232	10	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)2(COO)	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.8080	0.000	1	109.8080	0.000	1	108.9269	1.232	10	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CH3)2(NCH)	C(CC[6]CN)(H)3	C(CC[6]CN)(H)3	108.2867	0.625	4	108.2867	0.391	4	108.2867	0.391	4	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCHH)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	111.2147	0.458	3	111.2147	0.209	3	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]NiH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]NiH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	107.5520	0.000	1	107.5520	0.000	1	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	107.8460	0.365	2	107.8460	0.133	2	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoHH)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	111.4960	0.000	1	111.4960	0.000	1	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	110.1580	0.081	2	110.1580	0.006	2	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrHH)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NIrHH)(CH3)2(COO)	C(CCCN)(H)3	C(CCCN)(H)3	111.4983	0.187	3	111.4983	0.035	3	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	107.3017	0.750	3	107.3017	0.562	3	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CH3)2(CCH)	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCH)(CH3)2(CCH)	C(CCCN)(H)3	C(CCCN)(H)3	110.5950	0.000	1	110.5950	0.000	1	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCH)(CH3)2(CNO)	C(CCCN)(H)3	C(CCCN)(H)3	109.2704	0.509	7	109.2704	0.259	7	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	109.3010	0.154	2	109.3010	0.024	2	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NPtCC)(CH3)2(CHN)	C(CCCN)(H)3	C(CCCN)(H)3	109.6240	0.000	1	109.6240	0.000	1	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtHO)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NPtHO)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	111.8330	0.000	1	111.8330	0.000	1	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NTcCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	C(NTcCH)(CH3)2(CCN)	C(CCCN)(H)3	C(CCCN)(H)3	110.5185	0.746	2	110.5185	0.557	2	109.7132	2.184	29	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2Ni)(CH3)2(CHN)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]C[4]2Ni)(CH3)2(CHN)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2Ni)(CH3)2(CHN)	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2Ni)(CH3)2(CHN)	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ir)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Ir)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	108.2250	0.918	2	108.2250	0.842	2	108.5696	0.417	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	109.0530	0.000	1	109.0530	0.000	1	108.5696	0.417	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Rh)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Rh)(CH3)2(CHN)	C(CCCP)(H)3	C(CCCP)(H)3	109.0810	0.000	1	109.0810	0.000	1	108.5696	0.417	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCC)(CH3)2(CHH)	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCC)(CH3)2(CHH)	C(CCCP)(H)3	C(CCCP)(H)3	108.2640	0.000	1	108.2640	0.000	1	108.5696	0.417	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SFeOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	C(SFeOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	109.3230	0.250	2	109.3230	0.063	2	110.5088	1.692	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	C(SNOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	110.9730	0.000	1	110.9730	0.000	1	110.5088	1.692	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[5]OO)(CH3)2(CHH)	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[5]OO)(CH3)2(CHH)	C(CCCS)(H)3	C(CCCS)(H)3	112.4270	0.000	1	112.4270	0.000	1	110.5088	1.692	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNiOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	C(SNiOO)(CH3)2(CNO)	C(CCCS)(H)3	C(CCCS)(H)3	110.4980	0.000	1	110.4980	0.000	1	110.5088	1.692	5	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCN)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCN)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	108.1200	0.000	1	108.1200	0.000	1	108.5310	4.322	4	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCO)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	107.5035	2.146	2	107.5035	4.606	2	108.5310	4.322	4	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2O)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)2(CHH)	C(CSiCC)(H)3	C(CSiCC)(H)3	110.9970	0.000	1	110.9970	0.000	1	108.5310	4.322	4	109.5000	3.477	7087	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CNO)	C(CC3)(CC)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	C(CC3)(CC)(H)2	C(CC3)(H)3	109.0763	0.715	12	109.0763	0.511	12	109.0763	0.511	12	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(CCH)	C(CC3)(OH)(H)2	C(CC3)(H)3	C(CCHH)(CHHO)(CH3)(CCH)	C(CC3)(OH)(H)2	C(CC3)(H)3	108.4505	0.627	2	108.4505	0.393	2	109.0688	2.304	17	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)(CCH)	C(CC3)(OC)(H)2	C(CC3)(H)3	109.5360	0.000	1	109.5360	0.000	1	109.0688	2.304	17	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(OC)(H)2	C(CC3)(H)3	108.3095	1.023	2	108.3095	1.047	2	109.0688	2.304	17	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(CNO)	C(CC3)(ON)(H)2	C(CC3)(H)3	C(CHHO)(CH3)2(CNO)	C(CC3)(ON)(H)2	C(CC3)(H)3	108.4455	2.126	4	108.4455	4.521	4	109.0688	2.304	17	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(COO)	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHO)(CH3)2(COO)	C(CC3)(OC)(H)2	C(CC3)(H)3	109.6665	1.479	8	109.6665	2.187	8	109.0688	2.304	17	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(CC3)(SC)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CHHS)(CH3)(CNO)	C(CC3)(SC)(H)2	C(CC3)(H)3	110.1520	0.000	1	110.1520	0.000	1	109.3837	4.918	3	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(CNO)	C(CC3)(SC)(H)2	C(CC3)(H)3	C(CHHS)(CH3)2(CNO)	C(CC3)(SC)(H)2	C(CC3)(H)3	108.9995	2.992	2	108.9995	8.951	2	109.3837	4.918	3	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-2:H-1:O-1:	C-4:H-1:H-1:H-1:	C(CHNO)(CH3)2(NCH)	C(CCCN)(NH)(H)(O)	C(CCCN)(H)3	C(CHNO)(CH3)2(NCH)	C(CCCN)(NH)(H)(O)	C(CCCN)(H)3	109.1850	1.690	2	109.1850	2.856	2	109.1850	2.856	2	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCC)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NCC)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	108.5119	1.621	10	108.5119	2.629	10	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	109.1830	1.847	12	109.1830	3.413	12	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NCO)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NCO)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	109.4937	1.171	6	109.4937	1.372	6	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(OC)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NOO)	C(CCCN)(OC)(H)2	C(CCCN)(H)3	111.7675	2.603	2	111.7675	6.775	2	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NOO)	C(CCCN)(OS)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NOO)	C(CCCN)(OS)(H)2	C(CCCN)(H)3	110.4700	2.253	2	110.4700	5.075	2	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	109.6310	0.000	1	109.6310	0.000	1	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	110.2878	1.604	4	110.2878	2.574	4	109.3928	3.135	37	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(SS)(H)2	C(CCCN)(H)3	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(SS)(H)2	C(CCCN)(H)3	107.6510	0.000	1	107.6510	0.000	1	108.8073	4.953	3	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(NHS)	C(CCCN)(SS)(H)2	C(CCCN)(H)3	C(CHHS)(CH3)2(NHS)	C(CCCN)(SS)(H)2	C(CCCN)(H)3	109.3855	2.811	2	109.3855	7.900	2	108.8073	4.953	3	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:N-3:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(SC[6])(H)2	C(CC[6]CN)(H)3	C(C[6]C[6]2H)(CHHS)(CH3)(NHS)	C(CC[6]CN)(SC[6])(H)2	C(CC[6]CN)(H)3	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	109.2585	2.469	75	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)3(NCH)	C(CCCN)(NN)(H)2	C(CCCN)(NN)(H)2	C(CHHN)3(NCH)	C(CCCN)(NN)(H)2	C(CCCN)(NN)(H)2	110.2463	1.931	3	110.2463	3.730	3	110.2463	3.730	3	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)2(CH3)(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	111.0295	0.661	2	111.0295	0.437	2	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	108.4800	1.899	3	108.4800	3.606	3	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	110.2366	1.909	66	110.2366	3.645	66	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCoC)	C(CCCN)(OCo)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	C(CCCN)(OCo)(H)2	C(CCCN)(OH)(H)2	109.3225	0.202	2	109.3225	0.041	2	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCuC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	109.3720	2.068	3	109.3720	4.277	3	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NHH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NHH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	110.1643	1.074	3	110.1643	1.153	3	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NMoC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	112.2540	0.000	1	112.2540	0.000	1	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NMoC)	C(CCCN)(OMo)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NMoC)	C(CCCN)(OMo)(H)2	C(CCCN)(OH)(H)2	109.3670	1.855	2	109.3670	3.443	2	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NNiC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	109.0033	2.098	10	109.0033	4.402	10	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NSnC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	112.1015	0.112	2	112.1015	0.013	2	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NSnC)	C(CCCN)(OSn)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NSnC)	C(CCCN)(OSn)(H)2	C(CCCN)(OH)(H)2	109.0935	1.922	4	109.0935	3.695	4	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NZnC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	110.1342	2.693	4	110.1342	7.252	4	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NZnC)	C(CCCN)(OZn)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	C(CCCN)(OZn)(H)2	C(CCCN)(OH)(H)2	108.8930	0.300	2	108.8930	0.090	2	110.0028	3.659	104	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(SS)(H)2	C(CHHO)(CHHS)(CH3)(NHS)	C(CCCN)(OH)(H)2	C(CCCN)(SS)(H)2	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.0181	3.602	108	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-2:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)2(CCH)	C(CC3)(CN)2(H)	C(CC3)(H)3	C(CCCH)(CH3)2(CCH)	C(CC3)(CN)2(H)	C(CC3)(H)3	108.3312	1.126	4	108.3312	1.268	4	108.3312	1.268	4	109.1453	2.436	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:2:2:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CHOO)(CH3)(COO)	C(CCCN)(OH)2(H)	C(CCCN)(H)3	C(NCoHH)(CHOO)(CH3)(COO)	C(CCCN)(OH)2(H)	C(CCCN)(H)3	110.7735	0.648	2	110.7735	0.420	2	110.7735	0.420	2	109.1453	2.436	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(COO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(COO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	110.2250	0.000	1	110.2250	0.000	1	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCH)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CCH)	C(CC3)(CCH)(H)2	C(CC3)(H)3	109.1933	0.960	25	109.1933	0.922	25	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CCO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	109.0120	1.541	2	109.0120	2.376	2	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCO)	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CCO)	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.5200	1.373	2	109.5200	1.886	2	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(COO)	C(CC3)(CCC)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	C(CC3)(CCC)(H)2	C(CC3)(H)3	110.2045	2.179	4	110.2045	4.750	4	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(COO)	C(CC3)(COO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	C(CC3)(COO)(H)2	C(CC3)(H)3	109.4635	2.255	2	109.4635	5.085	2	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CNO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CNO)	C(CC3)(CCH)(H)2	C(CC3)(H)3	106.3620	0.000	1	106.3620	0.000	1	109.2765	1.640	37	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(CHN)	C(CC3)(NCH)(H)2	C(CC3)(H)3	C(CHHN)(CH3)2(CHN)	C(CC3)(NCH)(H)2	C(CC3)(H)3	109.7477	1.382	4	109.7477	1.910	4	109.5627	1.628	6	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(CNO)	C(CC3)(NHS)(H)2	C(CC3)(H)3	C(CHHN)(CH3)2(CNO)	C(CC3)(NHS)(H)2	C(CC3)(H)3	109.1925	1.414	2	109.1925	1.998	2	109.5627	1.628	6	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(F)3	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(F)3	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(H)3	C(CCHH)(CF3)(CH3)(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(H)3	110.9810	0.000	1	110.9810	0.000	1	110.2944	0.937	11	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	109.9501	0.846	8	109.9501	0.715	8	110.2944	0.937	11	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(NCH)	C(CCCN)(COO)(H)2	C(CCCN)(H)3	C(CCHH)2(CH3)(NCH)	C(CCCN)(COO)(H)2	C(CCCN)(H)3	111.3280	0.899	2	111.3280	0.809	2	110.2944	0.937	11	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	109.1013	1.206	3	109.1013	1.455	3	109.6777	2.431	6	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCH)(H)2	C(CCCN)(H)3	108.1480	0.000	1	108.1480	0.000	1	109.6777	2.431	6	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	C(CCCN)(H)3	111.3070	0.772	2	111.3070	0.596	2	109.6777	2.431	6	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CCH)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CCH)(H)2	C(CCCN)(H)3	111.0755	0.108	2	111.0755	0.012	2	111.2737	0.707	4	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(COO)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(COO)(H)2	C(CCCN)(H)3	111.4720	1.397	2	111.4720	1.952	2	111.2737	0.707	4	109.6250	1.753	65	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	110.7220	0.141	2	110.7220	0.020	2	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	C(CCCN)(OH)(H)2	107.0855	1.914	2	107.0855	3.664	2	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OCo)(H)2	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OCo)(H)2	111.6800	1.150	2	111.6800	1.322	2	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OH)(H)2	108.3843	0.993	3	108.3843	0.987	3	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCoC)	C(CCCN)(OCoH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCoC)	C(CCCN)(OCoH)(H)2	C(CCCN)(OH)(H)2	109.5630	0.000	1	109.5630	0.000	1	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCuC)	C(CCCN)(OCuH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCuC)	C(CCCN)(OCuH)(H)2	C(CCCN)(OH)(H)2	108.6000	0.675	6	108.6000	0.456	6	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)(H)2	109.0883	1.375	20	109.0883	1.890	20	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NZnC)	C(CCCN)(OZnH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NZnC)	C(CCCN)(OZnH)(H)2	C(CCCN)(OH)(H)2	109.4148	3.629	6	109.4148	13.167	6	109.1321	3.451	42	109.1321	3.451	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCH)(H)2	C(CCCN)(NCH)(H)2	110.9790	0.000	1	110.9790	0.000	1	112.1230	2.617	2	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	C(CCCN)(NCC)(H)2	C(CHHN)2(CH3)(NOO)	C(CCCN)(NCC)(H)2	C(CCCN)(NCC)(H)2	113.2670	0.000	1	113.2670	0.000	1	112.1230	2.617	2	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	C(CCCN)(OZnH)(H)2	C(CHHO)3(NCH)	C(CCCN)(OZnH)(H)2	C(CCCN)(OZnH)(H)2	113.5300	0.000	1	113.5300	0.000	1	111.7020	6.683	2	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OCoH)(H)2	C(CHHO)3(NCoC)	C(CCCN)(OCo2)(H)2	C(CCCN)(OCoH)(H)2	109.8740	0.000	1	109.8740	0.000	1	111.7020	6.683	2	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:O-3:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(OZn2)	C(CCCO)(NCC)(H)2	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	C(CCCO)(NCC)(H)2	C(CCCO)(NCC)(H)2	110.8220	0.819	4	110.8220	0.670	4	110.8220	0.670	4	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OCo3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OCo3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.6790	0.000	1	109.6790	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OFe3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OFe3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	110.0850	0.000	1	110.0850	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OMg3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OMg3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.0030	0.000	1	109.0030	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OMn3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OMn3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.4430	0.000	1	109.4430	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(ONi3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(ONi3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	110.2560	0.000	1	110.2560	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:O-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(OZn3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	C(CCHH)2(OZn3)(COO)	C(CCCO)(COO)(H)2	C(CCCO)(COO)(H)2	109.6270	0.000	1	109.6270	0.000	1	109.6822	0.203	6	110.6451	1.894	14	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(CNO)	C(CC3)(CCH)(H)2	C(CC3)2(H)2	C(CCHH)2(CH3)(CNO)	C(CC3)(CCH)(H)2	C(CC3)2(H)2	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	109.4952	2.722	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CCH)(H)2	C(CCCN)(CH3)(H)2	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	109.4952	2.722	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:O-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(ONiH)(H)2	C(CCCN)(CH3)(H)2	109.9485	0.234	2	109.9485	0.055	2	109.9485	0.055	2	109.4952	2.722	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	C(CCCN)(H)3	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	C(CCCN)(H)3	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:2:1:	4:4:4:1:	C-4:C-4:C-4:N-3:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	C(CCCN)(CH3)2(H)	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CCH)(OC)(H)	C(CCCN)(CH3)2(H)	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(CCH)	C(CC3)(COO)(NCN)(H)	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)(CCH)	C(CC3)(COO)(NCN)(H)	C(CC3)(H)3	114.4620	0.915	2	114.4620	0.837	2	112.1740	7.514	4	112.1740	7.514	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CCH)	C(CC3)(CCH)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(CCH)	C(CC3)(CCH)(NHS)(H)	C(CC3)(H)3	109.8860	0.875	2	109.8860	0.766	2	112.1740	7.514	4	112.1740	7.514	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:3:3:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-3:N-3:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHN)(CH3)(CCH)	C(CC3)(COO)(NCN)(H)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHN)(CH3)(CCH)	C(CC3)(COO)(NCN)(H)	C(CCHH)(CC3)(H)2	107.7225	2.331	2	107.7225	5.435	2	107.7225	5.435	2	107.7225	5.435	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHS)(CH3)(CHN)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHN)(CHHS)(CH3)(CHN)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	112.2170	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.6070	2.251	2	109.6070	5.069	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[6]HO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[6]HO)(CC3)(H)2	C(CC3)(H)3	105.5446	0.845	8	105.5446	0.714	8	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CCC)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CCC)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	107.5131	2.730	20	107.5131	7.452	20	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CNO)	C(CCCH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	C(CCCH)(CC3)(H)2	C(CC3)(H)3	108.8477	2.231	4	108.8477	4.976	4	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(CNO)	C(CCHO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(CNO)	C(CCHO)(CC3)(H)2	C(CC3)(H)3	109.2145	1.508	2	109.2145	2.275	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(COO)	C(CC3)(CH3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	C(CC3)(CH3)(H)2	C(CC3)(H)3	111.3276	3.971	9	111.3276	15.766	9	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(COO)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)2(COO)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(H)3	110.4895	4.422	2	110.4895	19.550	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	110.8970	0.509	2	110.8970	0.259	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.7117	0.663	6	109.7117	0.439	6	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CCO)	C(CC[3]HH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CCO)	C(CC[3]HH)(CC3)(H)2	C(CC3)(H)3	109.0085	0.556	4	109.0085	0.309	4	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(CNO)	C(CC3)2(H)2	C(CC3)(H)3	C(CCHH)2(CH3)(CNO)	C(CC3)2(H)2	C(CC3)(H)3	110.5330	0.000	1	110.5330	0.000	1	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.8350	0.000	1	109.8350	0.000	1	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5,5]HH)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5,5]HH)(CC3)(H)2	C(CC3)(H)3	106.5050	0.000	1	106.5050	0.000	1	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5]HH)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(CC[5]HH)(CC3)(H)2	C(CC3)(H)3	107.9800	0.000	1	107.9800	0.000	1	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]CO)(CCHH)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	110.7605	0.081	2	110.7605	0.007	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(CC3)(CH3)(H)2	C(CC3)(H)3	C(CC[6a]HN)(CCHH)(CH3)(CNO)	C(CC3)(CH3)(H)2	C(CC3)(H)3	109.7855	0.306	2	109.7855	0.094	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	111.1390	0.000	1	111.1390	0.000	1	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)(CCS)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.8160	0.000	2	109.8160	0.000	2	108.7628	7.852	70	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]HH)(CH3)2(CCH)	C(C[3]C[3]O[3]H)(CC3)(H)2	C(CC3)(H)3	C(CC[3]HH)(CH3)2(CCH)	C(C[3]C[3]O[3]H)(CC3)(H)2	C(CC3)(H)3	109.6290	0.912	2	109.6290	0.832	2	109.6290	0.832	2	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC3)(H)3	107.0300	0.000	1	107.0300	0.000	1	108.7488	3.600	5	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	110.7260	0.000	1	110.7260	0.000	1	108.7488	3.600	5	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC3)(H)3	106.6440	0.000	1	106.6440	0.000	1	108.7488	3.600	5	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(COO)	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)2(COO)	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC3)(H)3	109.6720	1.184	2	109.6720	1.401	2	108.7488	3.600	5	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(CHN)	C(NCHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)2(CHN)	C(NCHH)(CC3)(H)2	C(CC3)(H)3	109.3640	4.014	2	109.3640	16.108	2	107.8084	3.785	9	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHS)(CH3)(CHN)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHS)(CH3)(CHN)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	107.8260	0.000	1	107.8260	0.000	1	107.8084	3.785	9	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(COO)	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)(COO)	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	107.9585	0.838	4	107.9585	0.702	4	107.8084	3.785	9	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(COO)	C(NCuCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)(COO)	C(NCuCH)(CC3)(H)2	C(CC3)(H)3	105.9440	0.431	2	105.9440	0.186	2	107.8084	3.785	9	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)(CHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CH3)(CHP)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	107.6050	0.139	2	107.6050	0.019	2	107.6050	0.019	2	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(SC[6a]OO)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CHHS)(CH3)(CCH)	C(SC[6a]OO)(CC3)(H)2	C(CC3)(H)3	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCC)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.2370	1.704	4	109.2370	2.905	4	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	110.3411	4.151	8	110.3411	17.235	8	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.7909	1.903	38	109.7909	3.621	38	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	110.0260	1.841	2	110.0260	3.390	2	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NHH)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NHH)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	114.4755	1.309	2	114.4755	1.713	2	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NHS)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NHS)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	111.0422	5.740	4	111.0422	32.947	4	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	109.4820	0.054	2	109.4820	0.003	2	110.0645	7.066	60	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	105.4970	0.000	1	105.4970	0.000	1	105.8750	0.286	2	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	106.2530	0.000	1	106.2530	0.000	1	105.8750	0.286	2	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:S-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)2(NCH)	C(CCCN)(SO3)(H)2	C(CCCN)(H)3	C(CHHS)(CH3)2(NCH)	C(CCCN)(SO3)(H)2	C(CCCN)(H)3	110.1977	2.321	6	110.1977	5.385	6	110.1977	5.385	6	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)2(NCH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	C(CCCN)(H)3	C(CC[5]HH)(CH3)2(NCH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	C(CCCN)(H)3	109.9420	0.354	2	109.9420	0.125	2	109.9420	0.125	2	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	107.5075	0.097	2	107.5075	0.009	2	109.7819	5.894	10	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	113.5510	0.799	2	113.5510	0.638	2	109.7819	5.894	10	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	C(CCCN)(H)3	109.2837	1.559	6	109.2837	2.430	6	109.7819	5.894	10	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)(NH3)(COO)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:N-4:C-3:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	C(CSiHH)(CH3)(NH3)(COO)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	112.3237	0.805	3	112.3237	0.648	3	112.3237	0.648	3	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	C(CCNP)(H)3	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	C(CCNP)(H)3	113.5680	0.000	1	113.5680	0.000	1	113.5680	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-3:	C-4:Si-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(NRhHH)(CH3)(COO)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	C(CSiHH)(NRhHH)(CH3)(COO)	C(CCCN)(SiC3)(H)2	C(CCCN)(H)3	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C(CC[3,5]CC)(CF3)(H)2	C(CC[3,5]CC)(H)3	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C(CC[3,5]CC)(CF3)(H)2	C(CC[3,5]CC)(H)3	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)(CHH)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)(CHH)	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	C(CCNS)(H)3	C(SC[6a]OO)(CCHH)(CH3)(NOO)	C(CCHH)(CCNS)(H)2	C(CCNS)(H)3	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	109.4190	7.360	178	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(OH)(H)2	C(CCHH)(CHHO)(CH3)(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(OH)(H)2	108.4075	0.473	2	108.4075	0.224	2	108.4075	0.224	2	109.1826	0.434	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(CH3)(H)2	C(CCCN)(OH)(H)2	C(CCHH)(CHHO)2(NNiC)	C(CCCN)(CH3)(H)2	C(CCCN)(OH)(H)2	109.2465	0.233	2	109.2465	0.054	2	109.2465	0.054	2	109.1826	0.434	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:N-3:	C-4:O-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NNiH)	C(CCCN)(ONi3)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NNiH)	C(CCCN)(ONi3)(H)2	C(CCCN)(OH)(H)2	109.5090	0.557	2	109.5090	0.310	2	109.5090	0.310	2	109.1826	0.434	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:2:1:1:	C[4,6]-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]CC)(OC)(H)2	C(C[4,6]C[4,6,6]2H)(CCHH)(CHHO)(COO)	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]CC)(OC)(H)2	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.1826	0.434	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6]HO)(CCHH)2(CCS)	C(CCHH)(CC3)(H)2	C(CC3)(CHH)(H)2	C(CC[6]HO)(CCHH)2(CCS)	C(CCHH)(CC3)(H)2	C(CC3)(CHH)(H)2	109.8820	0.000	2	109.8820	0.000	2	109.8820	0.000	2	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(COO)(H)2	C(CCHH)2(CH3)(NCH)	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(COO)(H)2	108.1745	0.924	2	108.1745	0.854	2	108.1745	0.854	2	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NCH)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	110.9630	0.000	1	110.9630	0.000	1	111.3005	0.228	2	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	C(CHHN)2(CH3)(NHH)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	111.6380	0.000	1	111.6380	0.000	1	111.3005	0.228	2	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	C(CCCN)(NCoC)(H)2	112.5970	0.611	2	112.5970	0.373	2	112.5970	0.373	2	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:O-3:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(OZn2)	C(NZnCC)(CCCO)(H)2	C(CCCO)(NCC)(H)2	C(CHHN)3(OZn2)	C(NZnCC)(CCCO)(H)2	C(CCCO)(NCC)(H)2	109.3115	1.452	8	109.3115	2.110	8	109.3115	2.110	8	109.9000	2.895	16	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	107.5350	0.000	1	107.5350	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)(CCO)	C(CC[3]HH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CH3)(CCO)	C(CC[3]HH)(CC3)(H)2	C(CCHH)(CC3)(H)2	110.2328	0.250	4	110.2328	0.063	4	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHN)(CHN)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	109.4630	0.000	1	109.4630	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHS)(CNO)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHS)(CNO)	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	110.5040	0.000	1	110.5040	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(COO)	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	109.3030	0.000	1	109.3030	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CC[6a]CO)(CCHH)2(CCH)	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	110.2830	0.000	1	110.2830	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CPdHH)(CCHH)2(CNO)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CPdHH)(CCHH)2(CNO)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	107.8760	0.000	1	107.8760	0.000	1	109.5895	1.157	10	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C(CC[5]HH)(CC3)(H)2	111.5110	0.000	1	111.5110	0.000	1	111.2050	4.368	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]2H)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]2H)(CC3)(H)2	C(CCHH)(CC3)(H)2	108.9790	0.000	1	108.9790	0.000	1	111.2050	4.368	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC[5,5]HH)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)(CCO)	C(C[5]C[5]O[5]O)(CC3)(H)2	C(CC[5,5]HH)(CC3)(H)2	113.1250	0.000	1	113.1250	0.000	1	111.2050	4.368	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(COO)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CC3)(CH3)(H)2	110.2270	0.000	1	110.2270	0.000	1	110.8710	0.829	2	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)2(COO)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)2(COO)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	C(CCHH)(CC3)(H)2	111.5150	0.000	1	111.5150	0.000	1	110.8710	0.829	2	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHN)(CHN)	C(NCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHN)(CHN)	C(NCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	108.4705	3.099	2	108.4705	9.605	2	108.4705	9.605	2	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(COO)	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	111.5985	1.323	2	111.5985	1.750	2	111.7760	0.970	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(COO)	C(NCuCH)(CC3)(H)2	C(NCuCH)(CC3)(H)2	C(CHHN)2(CH3)(COO)	C(NCuCH)(CC3)(H)2	C(NCuCH)(CC3)(H)2	112.1310	0.000	1	112.1310	0.000	1	111.7760	0.970	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CH3)(CHP)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)(CHP)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(NHH)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	C(CCHH)3(NHH)	C(CCCN)(CCHH)(H)2	C(CCCN)(CCHH)(H)2	110.4010	1.623	3	110.4010	2.636	3	110.4010	2.636	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:O-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C(CHHO)3(NNiH)	C(CCCN)(ONi3)(H)2	C(CCCN)(ONi3)(H)2	C(CHHO)3(NNiH)	C(CCCN)(ONi3)(H)2	C(CCCN)(ONi3)(H)2	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	C(CCCN)(CH3)(H)2	109.3325	2.357	2	109.3325	5.554	2	109.3325	5.554	2	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	C(NCuCH)(CCCN)(H)2	C(CCHH)(CHHN)2(NOO)	C(NCuCH)(CCCN)(H)2	C(NCuCH)(CCCN)(H)2	115.2120	0.000	1	115.2120	0.000	1	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NCH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	110.4590	0.000	1	110.4590	0.000	1	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NHH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	111.9090	0.000	1	111.9090	0.000	1	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	C(NPdCH)(CCCN)(H)2	C(CHHN)2(CH3)(NOO)	C(NPdCH)(CCCN)(H)2	C(NPdCH)(CCCN)(H)2	112.7647	3.052	3	112.7647	9.315	3	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCN)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	110.5470	0.000	1	110.5470	0.000	1	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(NOO)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NOO)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	112.8803	0.402	6	112.8803	0.162	6	112.5925	3.007	13	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	O-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(NHH)	C(OCuMo2)(CCCN)(H)2	C(OCuMo2)(CCCN)(H)2	C(CHHO)3(NHH)	C(OCuMo2)(CCCN)(H)2	C(OCuMo2)(CCCN)(H)2	113.1113	1.523	3	113.1113	2.319	3	113.1113	2.319	3	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	C(CCNP)(CH3)(H)2	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	C(CCNP)(CH3)(H)2	115.7560	0.000	1	115.7560	0.000	1	115.7560	0.000	1	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	S-4:C-4:C-4:N-3:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	C(CCHH)(CCNS)(H)2	C(SC[6a]OO)(CCHH)2(NOO)	C(CCHH)(CCNS)(H)2	C(CCHH)(CCNS)(H)2	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	111.3332	4.688	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC3)(H)3	107.5350	0.356	2	107.5350	0.127	2	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(H)3	108.2240	0.581	6	108.2240	0.338	6	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)(COO)	C(CCCH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)(COO)	C(CCCH)(CC3)(OC)(H)	C(CC3)(H)3	111.3240	0.000	1	111.3240	0.000	1	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCH)	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	109.3517	1.634	4	109.3517	2.669	4	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCH)	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	110.1430	1.385	4	110.1430	1.917	4	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCH)	C(CCHN)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	C(CCHN)(CC3)(OH)(H)	C(CC3)(H)3	109.7165	2.354	2	109.7165	5.541	2	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCH)	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCH)	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	108.1990	1.220	13	108.1990	1.490	13	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCO)	C(CC3)2(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	C(CC3)2(OH)(H)	C(CC3)(H)3	113.2200	0.447	2	113.2200	0.200	2	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCO)	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	108.8803	1.475	6	108.8803	2.176	6	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(CCO)	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(CCO)	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	110.0046	1.826	14	110.0046	3.334	14	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(COO)	C(CC3)2(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(COO)	C(CC3)2(OH)(H)	C(CC3)(H)3	113.4660	2.434	2	113.4660	5.924	2	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)2(COO)	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)2(COO)	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	110.5470	4.326	2	110.5470	18.715	2	109.4405	4.030	58	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)2(CHO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[5]HO)(CH3)2(CHO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C(CC3)(H)3	110.5817	1.649	10	110.5817	2.721	10	110.5817	2.721	10	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:1:1:1:	C-4:Si-4:C-4:C-3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NP)(H)	C(CSiCC)(H)3	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NP)(H)	C(CSiCC)(H)3	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	109.5700	4.003	69	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)(COO)	C(CCCH)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)(COO)	C(CCCH)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC[6]HO)(CC3)(H)2	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OC)(H)	C(CC[6]HO)(CC3)(H)2	111.6870	0.110	2	111.6870	0.012	2	112.1916	0.772	8	112.0068	0.983	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[6]HO)(CC3)(H)2	C(CCHH)(CCHO)(CH3)(CCH)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[6]HO)(CC3)(H)2	112.3598	0.971	6	112.3598	0.943	6	112.1916	0.772	8	112.0068	0.983	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CCHH)(OH)(H)	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CCHH)(OH)(H)	C(CCCN)(CH3)(H)2	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	112.0068	0.983	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CNO)	C(CCCH)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(CNO)	C(CCCH)(CC3)(NCH)(H)	C(CC3)(H)3	108.5420	0.240	4	108.5420	0.057	4	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(CNO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(CNO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CC3)(H)3	109.1995	0.330	2	109.1995	0.109	2	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(COO)	C(CC3)(CH3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	C(CC3)(CH3)(NCH)(H)	C(CC3)(H)3	110.9345	1.937	2	110.9345	3.751	2	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(COO)	C(CCHH)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	C(CCHH)(CC3)(NCH)(H)	C(CC3)(H)3	110.9305	1.241	4	110.9305	1.541	4	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(COO)	C(CCHH)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	C(CCHH)(CC3)(NHS)(H)	C(CC3)(H)3	110.4505	1.039	2	110.4505	1.079	2	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(COO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)2(COO)	C(CC[6a]HH)(CC3)(NCH)(H)	C(CC3)(H)3	111.0025	2.635	2	111.0025	6.945	2	110.0665	2.268	16	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	C(CCCN)(F)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	C(CCCN)(F)3	108.5080	0.000	1	108.5080	0.000	1	109.5810	2.303	2	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(F)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(F)3	110.6540	0.000	1	110.6540	0.000	1	109.5810	2.303	2	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(COO)(H)	C(CCCN)(H)3	110.6380	0.000	1	110.6380	0.000	1	110.6710	0.002	2	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CHHO)(CCH)(H)	C(CCCN)(H)3	110.7040	0.000	1	110.7040	0.000	1	110.6710	0.002	2	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)2(NOO)	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCCN)(H)3	C(CCHN)(CH3)2(NOO)	C(CC[6a]HH)(CCCN)(NOO)(H)	C(CCCN)(H)3	112.3475	3.652	2	112.3475	13.339	2	112.3475	13.339	2	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:1:1:1:	C-4:Si-4:C-4:C-3:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NHP)(H)	C(CSiCC)(H)3	C(CCHN)(SiC3)(CH3)(CCH)	C(CSiCC)(CCHH)(NHP)(H)	C(CSiCC)(H)3	107.1040	0.000	1	107.1040	0.000	1	107.1040	0.000	1	110.1464	3.177	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCH)(H)2	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCH)(H)2	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NHS)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CH3)(H)2	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:2:	4:4:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:O-2:	C-4:C-4:H-1:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	C(CCCN)(CH3)(H)2	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	C(CCCN)(CH3)(H)2	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:3:2:	4:4:2:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-3:O-2:	C-4:C-4:O-2:H-1:	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	C(CCCN)(CCHH)(OH)(H)	C(CCCO)(CCHH)(CCHO)(NHS)	C(CCCN)(CH3)(CCC)(OH)	C(CCCN)(CCHH)(OH)(H)	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(Cl)(H)2	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(Cl)(H)2	113.1775	1.117	2	113.1775	1.247	2	113.1775	1.247	2	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:F-1:F-1:F-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(F)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(F)3	111.0675	0.450	2	111.0675	0.203	2	111.0675	0.203	2	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CCCH)(CCHO)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	110.9430	0.000	1	110.9430	0.000	1	111.9746	0.469	5	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(H)3	C(CCCH)(CF3)(CH3)(NHS)	C(CCCN)(CCHH)(CH3)(H)	C(CCCN)(H)3	112.4400	0.291	2	112.4400	0.085	2	111.9746	0.469	5	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	C(CClHH)(CCCH)(CH3)(NHS)	C(CCCN)(CH3)2(H)	C(CCCN)(H)3	112.0250	0.536	2	112.0250	0.287	2	111.9746	0.469	5	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)2(NOO)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CCCN)(H)3	C(CC[5]CH)(CH3)2(NOO)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C(CCCN)(H)3	112.9160	1.205	2	112.9160	1.452	2	112.9160	1.452	2	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	C-4:C-4:P-4:N-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	C(CCNP)(H)3	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	C(CCNP)(H)3	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:1:	4:1:1:1:	S-4:C-4:C-4:C-3:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(CH3)2(H)	C(CCCS)(H)3	C(SC[6a]OO)(CCCH)(CH3)(COO)	C(CCCS)(CH3)2(H)	C(CCCS)(H)3	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	112.4815	1.355	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(CCN)	C(CC3)(CF3)2(OAl)	C(CC3)(H)3	C(CCCO)(CH3)2(CCN)	C(CC3)(CF3)2(OAl)	C(CC3)(H)3	111.5383	1.664	4	111.5383	2.767	4	111.1373	2.133	6	111.2401	2.632	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)2(CCN)	C(CC3)(CF3)2(OH)	C(CC3)(H)3	C(CCCO)(CH3)2(CCN)	C(CC3)(CF3)2(OH)	C(CC3)(H)3	110.3355	0.660	2	110.3355	0.435	2	111.1373	2.133	6	111.2401	2.632	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NCH)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	C(CCCN)(CH3)2(NCH)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	111.5485	2.740	2	111.5485	7.508	2	111.5485	7.508	2	111.2401	2.632	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)2(CCH)	C(CC3)(CH3)2(CCH)	C(CC3)(H)3	C(CC3)(CH3)2(CCH)	C(CC3)(CH3)2(CCH)	C(CC3)(H)3	110.9654	0.450	8	110.9654	0.202	8	110.8984	0.592	10	111.1981	0.976	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CHHO)(CC3)(CH3)(CCO)	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(H)3	C(CHHO)(CC3)(CH3)(CCO)	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(H)3	110.6305	1.933	2	110.6305	3.735	2	110.8984	0.592	10	111.1981	0.976	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:N-3:	C-4:C-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C(CCCN)(CH3)2(NNO)	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	C(CCCN)(CH3)2(NNO)	C(CCCN)(CH3)2(NNO)	C(CCCN)(H)3	112.6965	0.105	2	112.6965	0.011	2	112.6965	0.011	2	111.1981	0.976	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:3:	4:2:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-3:	C-4:O-2:H-1:H-1:	C(CHHO)(CC3)(CH3)(CCO)	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(OC)(H)2	C(CHHO)(CC3)(CH3)(CCO)	C(CHHO)(CC3)(CH3)(CCO)	C(CC3)(OC)(H)2	112.0625	2.297	2	112.0625	5.278	2	112.0625	5.278	2	112.0625	5.278	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(CC3)(CH3)2	C(CC3)(H)3	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(CC3)(CH3)2	C(CC3)(H)3	109.6440	0.000	1	109.6440	0.000	1	109.6440	0.000	1	110.7349	0.429	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)2(CCN)	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC3)(H)3	C(CC[5]CC)(CH3)2(CCN)	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC3)(H)3	110.4375	0.211	2	110.4375	0.045	2	110.9167	0.237	6	110.7349	0.429	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[5]CC)(CH3)2(CCN)	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC3)(H)3	C(CC[5]CC)(CH3)2(CCN)	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC3)(H)3	111.1562	0.387	4	111.1562	0.150	4	110.9167	0.237	6	110.7349	0.429	7	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:3:	4:4:4:4:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(CC3)(CH3)2	C(CHHO)(CC3)(H)2	C(CCHH)(CC3)(CH3)(CCH)	C(CCHH)(CC3)(CH3)2	C(CHHO)(CC3)(H)2	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(OP[6])(CC3)(H)2	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(OP[6])(CC3)(H)2	113.1874	0.548	5	113.1874	0.300	5	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(CH3)2	C(OP[4,5])(CC3)(H)2	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	C(OP[4,5])(CC3)(H)2	C(OP[4])(CC3)(H)2	108.8650	0.000	1	108.8650	0.000	1	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)2(CH3)2	C(OP[4])(CC3)(H)2	C(OP[4])(CC3)(H)2	C(CHHO)2(CH3)2	C(OP[4])(CC3)(H)2	C(OP[4])(CC3)(H)2	108.2730	0.700	4	108.2730	0.490	4	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OC[6a])(CC3)(H)2	C(OC[6a])(CC3)(H)2	C(CHHO)3(CH3)	C(OC[6a])(CC3)(H)2	C(OC[6a])(CC3)(H)2	109.2460	1.966	6	109.2460	3.865	6	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)4	C(OC[6])(CC3)(H)2	C(OC[6])(CC3)(H)2	C(CHHO)4	C(OC[6])(CC3)(H)2	C(OC[6])(CC3)(H)2	109.5203	0.991	15	109.5203	0.983	15	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)4	C(OC[6a])(CC3)(H)2	C(OC[6a])(CC3)(H)2	C(CHHO)4	C(OC[6a])(CC3)(H)2	C(OC[6a])(CC3)(H)2	109.5436	2.238	94	109.5436	5.011	94	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C(CHHO)4	C(OP[6])(CC3)(H)2	C(OP[6])(CC3)(H)2	C(CHHO)4	C(OP[6])(CC3)(H)2	C(OP[6])(CC3)(H)2	109.5373	5.159	6	109.5373	26.610	6	109.6221	5.445	131	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	S-2:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHS)4	C(SC[5a])(CC3)(H)2	C(SC[5a])(CC3)(H)2	C(CHHS)4	C(SC[5a])(CC3)(H)2	C(SC[5a])(CC3)(H)2	108.8410	5.095	4	108.8410	25.964	4	108.8410	25.964	4	109.5990	5.881	135	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6])(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6])(CC3)(H)2	C(CC3)(H)3	109.4272	1.986	23	109.4272	3.943	23	109.3581	3.838	32	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a])(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a])(CC3)(H)2	C(CC3)(H)3	109.1817	1.995	9	109.1817	3.979	9	109.3581	3.838	32	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)3(CHHO)	C(OC[6a])(CC3)(H)2	C(CC3)(Br)(H)2	C(CBrHH)3(CHHO)	C(OC[6a])(CC3)(H)2	C(CC3)(Br)(H)2	109.1588	3.149	6	109.1588	9.913	6	109.1588	9.913	6	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(OC[6a])(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(OC[6a])(CC3)(H)2	C(CC3)(H)3	108.2554	4.727	9	108.2554	22.345	9	109.1452	8.121	35	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(OP[4,5])(CC3)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(OP[4,5])(CC3)(H)2	C(CC3)(H)3	108.6395	2.524	2	108.6395	6.369	2	109.1452	8.121	35	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(OP[4])(CC3)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(OP[4])(CC3)(H)2	C(CC3)(H)3	109.4655	2.051	18	109.4655	4.205	18	109.1452	8.121	35	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OC[6a])(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OC[6a])(CC3)(H)2	C(CC3)(H)3	109.6873	1.283	6	109.6873	1.647	6	109.1452	8.121	35	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHS)(CH3)2	C(SC[6a])(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHS)(CH3)2	C(SC[6a])(CC3)(H)2	C(CC3)(H)3	108.3900	2.550	2	108.3900	6.502	2	106.7123	11.695	3	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(SC[6a])(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	C(SC[6a])(CC3)(H)2	C(CC3)(H)3	103.3570	0.000	1	103.3570	0.000	1	106.7123	11.695	3	109.1399	6.497	76	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(OC[6a])(CC3)(H)2	C(CC3)(OC)(H)2	C(CHHO)4	C(OC[6a])(CC3)(H)2	C(CC3)(OC)(H)2	109.3685	2.386	6	109.3685	5.694	6	109.3685	5.694	6	109.3685	5.694	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	S-2:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHS)(CH3)2	C(SC[6a])(CC3)(H)2	C(CC3)(CNO)(H)2	C(CCHH)(CHHS)(CH3)2	C(SC[6a])(CC3)(H)2	C(CC3)(CNO)(H)2	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(CC3)(CH3)(H)2	107.7549	3.162	12	107.7549	10.001	12	107.7793	10.205	20	107.7793	10.205	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	2:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	C(OP[6])(CC3)(H)2	C(CCHH)(CC3)(H)2	107.8160	3.461	8	107.8160	11.980	8	107.7793	10.205	20	107.7793	10.205	20	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:3:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(CC[5a]2C[6a])(CH3)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C(CC3)(H)3	C(CC[5a]2C[6a])(CH3)3	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(CC3)	C(CC3)(H)3	111.5637	1.761	3	111.5637	3.100	3	111.5637	3.100	3	111.5637	3.100	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC[6a]C)(OAl2)(CC3)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC[6a]C)(OAl2)(CC3)(H)	C(CC3)(H)3	109.9402	1.575	6	109.9402	2.481	6	109.9402	2.481	6	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]N[5]H)(CH3)3	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	C(CC[5a]N[5]H)(CH3)3	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	109.6723	4.112	3	109.6723	16.912	3	109.6723	16.912	3	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:F-1:	C-4:H-1:H-1:H-1:	C(CC[6]2F)(CH3)3	C(C[6]C[6]N[6])2(CC3)(F)	C(CC3)(H)3	C(CC[6]2F)(CH3)3	C(C[6]C[6]N[6])2(CC3)(F)	C(CC3)(H)3	110.2360	2.117	6	110.2360	4.483	6	109.6573	2.209	14	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:F-1:	C-4:H-1:H-1:H-1:	C(CC[6]2F)(CNiHH)(CH3)2	C(C[6]C[6]N[6])2(CC3)(F)	C(CC3)(H)3	C(CC[6]2F)(CNiHH)(CH3)2	C(C[6]C[6]N[6])2(CC3)(F)	C(CC3)(H)3	109.2233	0.630	8	109.2233	0.397	8	109.6573	2.209	14	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]2H)(CH3)3	C(C[6]C[6]2)2(CC3)(H)	C(CC3)(H)3	C(CC[6]2H)(CH3)3	C(C[6]C[6]2)2(CC3)(H)	C(CC3)(H)3	110.1772	2.834	6	110.1772	8.031	6	110.1772	8.031	6	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)3	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC3)(H)3	C(CC[6]HO)(CH3)3	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C(CC3)(H)3	109.5973	1.746	3	109.5973	3.048	3	109.5973	3.048	3	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC3)(H)3	C(CC[6a]C[6]H)(CH3)3	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C(CC3)(H)3	109.9810	3.965	3	109.9810	15.723	3	109.9810	15.723	3	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)3	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	C(CC[6a]2H)(CH3)3	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	110.8535	3.887	16	110.8535	15.108	16	110.9906	14.336	18	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)2	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)2	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(H)3	112.0870	3.793	2	112.0870	14.386	2	110.9906	14.336	18	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	110.5089	3.227	18	110.5089	10.416	18	110.3225	12.440	72	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	C(CC3)(H)3	110.1370	3.648	6	110.1370	13.305	6	110.3225	12.440	72	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	C(C[6a]C[6a]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	110.2757	3.686	48	110.2757	13.589	48	110.3225	12.440	72	110.2776	10.466	125	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)2	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(OC)(H)2	C(CC[6a]2H)(CHHO)(CH3)2	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(OC)(H)2	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	109.5980	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OCr2)(CC3)2	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OCr2)(CC3)2	C(CC3)(H)3	112.3700	3.175	12	112.3700	10.082	12	112.3303	9.552	23	112.3303	9.552	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:3:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:O-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OLiZn)(CC3)2	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(OLiZn)(CC3)2	C(CC3)(H)3	112.2870	3.150	11	112.2870	9.920	11	112.3303	9.552	23	112.3303	9.552	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[3,5]O)(CC3)(H)2	C(CC[3]O)(CC3)(H)2	C(CCHH)2(CH3)2	C(CC[3,5]O)(CC3)(H)2	C(CC[3]O)(CC3)(H)2	111.5220	0.000	1	111.5220	0.000	1	111.1160	0.330	2	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC[5a]O)(CC3)(H)2	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC[5a]O)(CC3)(H)2	110.7100	0.000	1	110.7100	0.000	1	111.1160	0.330	2	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CRuH)(CC3)(H)2	C(NRuC)(CC3)(H)2	C(CCHH)(CHHN)(CH3)2	C(CRuH)(CC3)(H)2	C(NRuC)(CC3)(H)2	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2)(CC3)(H)2	C(CC[5]O)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2)(CC3)(H)2	C(CC[5]O)(CC3)(H)2	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CCHH)(CHHN)3	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	C(CCHH)(CHHN)3	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	110.1970	0.643	3	110.1970	0.413	3	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NAlC)(CC3)(H)2	C(NAlC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NAlC)(CC3)(H)2	C(NAlC)(CC3)(H)2	109.5612	1.468	12	109.5612	2.155	12	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCdC)(CC3)(H)2	C(NCdC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCdC)(CC3)(H)2	C(NCdC)(CC3)(H)2	113.1300	0.888	2	113.1300	0.789	2	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoC)(CC3)(H)2	C(NCoC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCoC)(CC3)(H)2	C(NCoC)(CC3)(H)2	109.5060	0.000	1	109.5060	0.000	1	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCuC)(CC3)(H)2	C(NCuC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCuC)(CC3)(H)2	C(NCuC)(CC3)(H)2	111.7149	0.892	16	111.7149	0.795	16	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	111.5286	1.359	7	111.5286	1.848	7	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NHfC)(CC3)(H)2	C(NHfC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NHfC)(CC3)(H)2	C(NHfC)(CC3)(H)2	112.4510	0.000	1	112.4510	0.000	1	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NMgC)(CC3)(H)2	C(NMgC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NMgC)(CC3)(H)2	C(NMgC)(CC3)(H)2	111.9620	0.000	1	111.9620	0.000	1	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NMnC)(CC3)(H)2	C(NMnC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NMnC)(CC3)(H)2	C(NMnC)(CC3)(H)2	111.0706	0.968	5	111.0706	0.936	5	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NMoC)(CC3)(H)2	C(NMoC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NMoC)(CC3)(H)2	C(NMoC)(CC3)(H)2	111.4906	0.496	5	111.4906	0.246	5	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiC)(CC3)(H)2	C(NNiC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NNiC)(CC3)(H)2	C(NNiC)(CC3)(H)2	110.1551	1.055	15	110.1551	1.113	15	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NPdC)(CC3)(H)2	C(NPdC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NPdC)(CC3)(H)2	C(NPdC)(CC3)(H)2	110.4690	1.546	2	110.4690	2.389	2	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NReC)(CC3)(H)2	C(NReC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NReC)(CC3)(H)2	C(NReC)(CC3)(H)2	111.6125	1.568	2	111.6125	2.458	2	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NZnC)(CC3)(H)2	C(NZnC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NZnC)(CC3)(H)2	C(NZnC)(CC3)(H)2	111.3194	0.696	9	111.3194	0.484	9	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NZrC)(CC3)(H)2	C(NZrC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NZrC)(CC3)(H)2	C(NZrC)(CC3)(H)2	112.1640	1.413	3	112.1640	1.997	3	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NCoC)(CC3)(H)2	C(NCoC)(CC3)(H)2	C(CHHN)3(CH3)	C(NCoC)(CC3)(H)2	C(NCoC)(CC3)(H)2	111.2210	0.278	3	111.2210	0.078	3	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NCuC)(CC3)(H)2	C(NCuC)(CC3)(H)2	C(CHHN)3(CH3)	C(NCuC)(CC3)(H)2	C(NCuC)(CC3)(H)2	111.2997	0.780	3	111.2997	0.608	3	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	C(CHHN)3(CH3)	C(NFeC)(CC3)(H)2	C(NFeC)(CC3)(H)2	109.8433	0.311	15	109.8433	0.097	15	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NMnC)(CC3)(H)2	C(NMnC)(CC3)(H)2	C(CHHN)3(CH3)	C(NMnC)(CC3)(H)2	C(NMnC)(CC3)(H)2	110.9652	0.781	15	110.9652	0.610	15	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NNiC)(CC3)(H)2	C(NNiC)(CC3)(H)2	C(CHHN)3(CH3)	C(NNiC)(CC3)(H)2	C(NNiC)(CC3)(H)2	110.9565	0.144	2	110.9565	0.021	2	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NZnC)(CC3)(H)2	C(NZnC)(CC3)(H)2	C(CHHN)3(CH3)	C(NZnC)(CC3)(H)2	C(NZnC)(CC3)(H)2	111.3450	0.853	3	111.3450	0.727	3	110.8556	1.466	125	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoC)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	C(NCoC)(CC3)(H)2	C(SCoC)(CC3)(H)2	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C(CN[5]HH)2(CBrHH)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CN[5]HH)2(CBrHH)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	103.8895	5.032	2	103.8895	25.326	2	103.8895	25.326	2	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)2(CH3)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CN[5a]HH)2(CH3)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	110.6400	0.000	1	110.6400	0.000	1	108.7626	7.447	15	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)3(CBrHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CN[5a]HH)3(CBrHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	108.0923	0.954	3	108.0923	0.910	3	108.7626	7.447	15	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)3(CH3)	C(N[5a]C[5a]2)(CC3)(H)2	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)3(CH3)	C(N[5a]C[5a]2)(CC3)(H)2	C(N[5a]C[5a]2)(CC3)(H)2	107.9643	0.753	3	107.9643	0.567	3	108.7626	7.447	15	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)4	C(N[5a]C[5a]2)(CC3)(H)2	C(N[5a]C[5a]2)(CC3)(H)2	C(CN[5a]HH)4	C(N[5a]C[5a]2)(CC3)(H)2	C(N[5a]C[5a]2)(CC3)(H)2	109.3847	3.420	6	109.3847	11.697	6	108.7626	7.447	15	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C(CN[5a]HH)4	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CN[5a]HH)4	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	108.1605	5.744	2	108.1605	32.992	2	108.7626	7.447	15	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)2(CHHO)2	C(N[6]C[6]2)(CC3)(H)2	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)2(CHHO)2	C(N[6]C[6]2)(CC3)(H)2	C(N[6]C[6]2)(CC3)(H)2	101.3800	0.000	1	101.3800	0.000	1	108.3097	10.760	7	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C(CN[6]HH)4	C(N[6]C[6]2)(CC3)(H)2	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)4	C(N[6]C[6]2)(CC3)(H)2	C(N[6]C[6]2)(CC3)(H)2	109.4647	1.307	6	109.4647	1.707	6	108.3097	10.760	7	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(OCr2)(CC3)(H)2	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(OCr2)(CC3)(H)2	110.0230	0.000	1	110.0230	0.000	1	110.9872	0.695	54	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(OFe2)(CC3)(H)2	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(OFe2)(CC3)(H)2	110.8900	1.912	2	110.8900	3.656	2	110.9872	0.695	54	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OSn2)(CC3)(H)2	C(OSn2)(CC3)(H)2	C(CHHO)3(CH3)	C(OSn2)(CC3)(H)2	C(OSn2)(CC3)(H)2	111.0099	0.803	51	111.0099	0.645	51	110.9872	0.695	54	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(OCoH)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	C(OCoH)(CC3)(H)2	C(SCoC)(CC3)(H)2	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CCCH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CCCH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	111.0965	0.466	2	111.0965	0.217	2	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CCHH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CCHH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	111.4920	0.000	1	111.4920	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	113.1040	0.000	1	113.1040	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	112.4260	0.000	1	112.4260	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)(CHHS)2(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	111.1640	0.000	1	111.1640	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(CH3)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHS)2(CH3)2	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	112.4280	1.967	2	112.4280	3.870	2	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)2(CH3)2	C(SFeNi)(CC3)(H)2	C(SFeNi)(CC3)(H)2	C(CHHS)2(CH3)2	C(SFeNi)(CC3)(H)2	C(SFeNi)(CC3)(H)2	113.3980	0.000	1	113.3980	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SC[6a]Fe)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHS)3(CH3)	C(SC[6a]Fe)(CC3)(H)2	C(SFe2)(CC3)(H)2	113.0035	1.148	2	113.0035	1.317	2	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SCoC)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHS)3(CH3)	C(SCoC)(CC3)(H)2	C(SCoC)(CC3)(H)2	112.1263	0.687	3	112.1263	0.472	3	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	111.4633	1.468	16	111.4633	2.154	16	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(SFeC)(CC3)(H)2	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(SFeC)(CC3)(H)2	113.2787	0.770	6	113.2787	0.592	6	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(SNi2)(CC3)(H)2	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(SNi2)(CC3)(H)2	110.9050	0.000	1	110.9050	0.000	1	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(SNiC)(CC3)(H)2	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(SNiC)(CC3)(H)2	111.7505	2.439	2	111.7505	5.948	2	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHS)4	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	C(CHHS)4	C(SFe2)(CC3)(H)2	C(SFe2)(CC3)(H)2	109.1404	3.260	10	109.1404	10.630	10	111.4268	4.855	49	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)2(CH3)2	C(SeFe2)(CC3)(H)2	C(SeFe2)(CC3)(H)2	C(CSeHH)2(CH3)2	C(SeFe2)(CC3)(H)2	C(SeFe2)(CC3)(H)2	111.9297	0.459	3	111.9297	0.211	3	112.8632	0.889	12	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	Se-3:C-4:H-1:H-1:	Se-3:C-4:H-1:H-1:	C(CSeHH)3(CH3)	C(SeRuC)(CC3)(H)2	C(SeRuC)(CC3)(H)2	C(CSeHH)3(CH3)	C(SeRuC)(CC3)(H)2	C(SeRuC)(CC3)(H)2	113.1743	0.856	9	113.1743	0.733	9	112.8632	0.889	12	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:P-4:P-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)2(PO3)2	C(C[6a]C[6a]2)(CCPP)(H)2	C(C[6a]C[6a]2)(CCPP)(H)2	C(CC[6a]HH)2(PO3)2	C(C[6a]C[6a]2)(CCPP)(H)2	C(C[6a]C[6a]2)(CCPP)(H)2	110.1610	4.702	3	110.1610	22.109	3	110.1610	22.109	3	110.8448	3.607	273	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:Br-1:Br-1:	C-4:H-1:H-1:H-1:	C(CBr2C)(CH3)3	C(CC[6a]O)(CC3)(Br)2	C(CC3)(H)3	C(CBr2C)(CH3)3	C(CC[6a]O)(CC3)(Br)2	C(CC3)(H)3	110.3697	1.138	3	110.3697	1.296	3	110.3697	1.296	3	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(F)3	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(F)3	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)2	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	C(CCCH)(CCHH)(CH3)2	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	108.5380	3.495	2	108.5380	12.212	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(H)3	110.8690	0.000	1	110.8690	0.000	1	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	109.0795	3.195	2	109.0795	10.211	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CAlC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CAlC)(CC3)(H)2	C(CC3)(H)3	109.5023	1.697	3	109.5023	2.881	3	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	109.5922	1.962	12	109.5922	3.851	12	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6a]N)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6a]N)(CC3)(H)2	C(CC3)(H)3	109.5643	2.319	9	109.5643	5.380	9	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CFeO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CFeO)(CC3)(H)2	C(CC3)(H)3	109.4087	1.975	3	109.4087	3.901	3	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CIrN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CIrN)(CC3)(H)2	C(CC3)(H)3	109.5278	2.670	6	109.5278	7.129	6	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CNiO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CNiO)(CC3)(H)2	C(CC3)(H)3	109.2800	2.425	3	109.2800	5.883	3	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CTiN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CTiN)(CC3)(H)2	C(CC3)(H)3	109.4613	1.305	3	109.4613	1.702	3	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CRuH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(CRuH)(CC3)(H)2	C(CC3)(H)3	109.4085	2.442	2	109.4085	5.962	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[3,5]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC[3,5]O)(CC3)(H)2	C(CC3)(H)3	109.1730	1.066	2	109.1730	1.137	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[3]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC[3]O)(CC3)(H)2	C(CC3)(H)3	108.7200	2.357	2	108.7200	5.558	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(H)3	108.7155	2.436	2	108.7155	5.934	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC3)(H)3	108.9128	2.029	6	108.9128	4.117	6	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)3(CH3)	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	C(CCHH)3(CH3)	C(CC[6]O)(CC3)(H)2	C(CC3)(H)3	109.2490	0.000	1	109.2490	0.000	1	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(H)3	108.7740	1.964	2	108.7740	3.859	2	109.3397	3.732	61	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2)(CC3)(H)2	C(CC3)(H)3	108.8440	2.469	2	108.8440	6.097	2	109.8334	7.545	53	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5]N[5])(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5]N[5])(CC3)(H)2	C(CC3)(H)3	109.8722	2.772	51	109.8722	7.684	51	109.8334	7.545	53	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(CC3)(H)3	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(CC3)(H)3	110.2265	1.807	2	110.2265	3.264	2	109.6316	3.782	14	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)3	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(H)3	C(CC[5a]HH)(CH3)3	C(C[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(H)3	109.5325	2.024	12	109.5325	4.097	12	109.6316	3.782	14	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HH)(CH3)3	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC3)(H)3	C(CC[6,6]HH)(CH3)3	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C(CC3)(H)3	109.7646	1.801	9	109.7646	3.245	9	109.7646	3.245	9	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	111.3720	0.000	1	111.3720	0.000	1	110.0850	8.341	4	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)3	C(C[6]C[6]N[6])(CC3)(H)2	C(CC3)(H)3	C(CC[6]HH)(CH3)3	C(C[6]C[6]N[6])(CC3)(H)2	C(CC3)(H)3	109.6560	3.377	3	109.6560	11.407	3	110.0850	8.341	4	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	109.9100	0.875	2	109.9100	0.766	2	110.3268	3.475	20	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(H)3	110.3732	1.953	18	110.3732	3.816	18	110.3268	3.475	20	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGaHH)(CH3)3	C(GaCC)(CC3)(H)2	C(CC3)(H)3	C(CGaHH)(CH3)3	C(GaCC)(CC3)(H)2	C(CC3)(H)3	110.1868	0.968	12	110.1868	0.937	12	110.1868	0.937	12	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(NRuC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(NRuC)(CC3)(H)2	C(CC3)(H)3	108.5780	2.622	2	108.5780	6.875	2	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[3]C[5])(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[3]C[5])(CC3)(H)2	C(CC3)(H)3	109.9103	2.597	6	109.9103	6.746	6	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[5]B)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[5]B)(CC3)(H)2	C(CC3)(H)3	110.1843	3.786	3	110.1843	14.334	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[5]C)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[5]C)(CC3)(H)2	C(CC3)(H)3	109.6129	2.824	51	109.6129	7.974	51	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[5]H)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[5]H)(CC3)(H)2	C(CC3)(H)3	109.6330	1.568	3	109.6330	2.458	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[5]P)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[5]P)(CC3)(H)2	C(CC3)(H)3	109.7220	2.798	9	109.7220	7.826	9	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6]Cr)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6]Cr)(CC3)(H)2	C(CC3)(H)3	109.5200	2.060	6	109.5200	4.243	6	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6]H)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6]H)(CC3)(H)2	C(CC3)(H)3	109.2485	1.890	51	109.2485	3.571	51	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6]Pd)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6]Pd)(CC3)(H)2	C(CC3)(H)3	109.8586	2.840	9	109.8586	8.068	9	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Al)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Al)(CC3)(H)2	C(CC3)(H)3	109.8837	1.424	3	109.8837	2.028	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]H)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]H)(CC3)(H)2	C(CC3)(H)3	109.3971	1.954	27	109.3971	3.817	27	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Nb)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Nb)(CC3)(H)2	C(CC3)(H)3	109.3515	2.066	18	109.3515	4.269	18	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Pd)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Pd)(CC3)(H)2	C(CC3)(H)3	110.0277	1.948	9	110.0277	3.793	9	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Sn)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Sn)(CC3)(H)2	C(CC3)(H)3	109.6884	1.834	5	109.6884	3.365	5	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Zn)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Zn)(CC3)(H)2	C(CC3)(H)3	108.6903	1.970	3	108.6903	3.881	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NMoO)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NMoO)(CC3)(H)2	C(CC3)(H)3	109.5440	2.597	3	109.5440	6.746	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NNb[3x3]C[6a])(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NNb[3x3]C[6a])(CC3)(H)2	C(CC3)(H)3	109.5403	2.718	9	109.5403	7.387	9	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NAlC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NAlC)(CC3)(H)2	C(CC3)(H)3	109.1924	1.906	47	109.1924	3.631	47	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NC[6a]H)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NC[6a]H)(CC3)(H)2	C(CC3)(H)3	108.6705	1.531	2	108.6705	2.344	2	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCdC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCdC)(CC3)(H)2	C(CC3)(H)3	108.2800	2.501	8	108.2800	6.253	8	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCoC)(CC3)(H)2	C(CC3)(H)3	109.0858	1.909	8	109.0858	3.644	8	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCuC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCuC)(CC3)(H)2	C(CC3)(H)3	108.7906	1.797	52	108.7906	3.231	52	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NFeC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NFeC)(CC3)(H)2	C(CC3)(H)3	109.0364	2.381	28	109.0364	5.670	28	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NHfC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NHfC)(CC3)(H)2	C(CC3)(H)3	108.4955	2.160	4	108.4955	4.665	4	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NMgC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NMgC)(CC3)(H)2	C(CC3)(H)3	108.6033	2.577	4	108.6033	6.640	4	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NMnC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NMnC)(CC3)(H)2	C(CC3)(H)3	108.8917	2.307	19	108.8917	5.323	19	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NMoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NMoC)(CC3)(H)2	C(CC3)(H)3	108.7773	2.489	20	108.7773	6.196	20	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NNiC)(CC3)(H)2	C(CC3)(H)3	109.0755	1.916	56	109.0755	3.669	56	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NPdC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NPdC)(CC3)(H)2	C(CC3)(H)3	109.1137	3.102	6	109.1137	9.623	6	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NPtC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NPtC)(CC3)(H)2	C(CC3)(H)3	108.0995	3.856	2	108.0995	14.868	2	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NReC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NReC)(CC3)(H)2	C(CC3)(H)3	108.7769	3.306	8	108.7769	10.928	8	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NZnC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NZnC)(CC3)(H)2	C(CC3)(H)3	108.8220	2.347	36	108.8220	5.508	36	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NZrC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NZrC)(CC3)(H)2	C(CC3)(H)3	108.5605	2.031	12	108.5605	4.126	12	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CHHS)(CH3)	C(NCoC)(CC3)(H)2	C(CC3)(H)3	108.6050	0.000	1	108.6050	0.000	1	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NCoC)(CC3)(H)2	C(CC3)(H)3	107.6590	0.180	3	107.6590	0.032	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NCuC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NCuC)(CC3)(H)2	C(CC3)(H)3	107.5777	0.925	3	107.5777	0.855	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NFeC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NFeC)(CC3)(H)2	C(CC3)(H)3	109.0947	0.518	15	109.0947	0.268	15	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NMnC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NMnC)(CC3)(H)2	C(CC3)(H)3	107.9225	0.773	15	107.9225	0.598	15	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NNiC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NNiC)(CC3)(H)2	C(CC3)(H)3	107.9773	0.298	3	107.9773	0.089	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NZnC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NZnC)(CC3)(H)2	C(CC3)(H)3	107.5157	0.950	3	107.5157	0.902	3	109.0897	4.590	572	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2)(CC3)(H)2	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2)(CC3)(H)2	C(CC3)(H)3	108.8310	3.048	2	108.8310	9.288	2	108.8310	9.288	2	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5]HH)2(CBrHH)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CC3)(Br)(H)2	C(CN[5]HH)2(CBrHH)2	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CC3)(Br)(H)2	110.0970	3.381	8	110.0970	11.431	8	110.0970	11.431	8	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]B[5]C[5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]B[5]C[5])(CC3)(H)2	C(CC3)(H)3	109.6570	4.483	3	109.6570	20.098	3	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]C[5,6]P[5])(CC3)(H)2	C(CC3)(H)3	109.7850	2.868	6	109.7850	8.228	6	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]C[5])(CC3)(H)2	C(CC3)(H)3	109.2903	2.460	47	109.2903	6.051	47	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Ge[5])(CC3)(H)2	C(CC3)(H)3	109.5852	2.264	38	109.5852	5.127	38	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Si[3x5])(CC3)(H)2	C(CC3)(H)3	109.9375	2.713	6	109.9375	7.358	6	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]C[5,6a]Si[5])(CC3)(H)2	C(CC3)(H)3	109.6139	2.252	65	109.6139	5.073	65	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(N[5]Ge[5,5,6]C[5,6a])(CC3)(H)2	C(CC3)(H)3	109.2413	2.007	6	109.2413	4.028	6	109.5236	5.507	171	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5a]HH)3(CBrHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(Br)(H)2	C(CN[5a]HH)3(CBrHH)	C(N[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(Br)(H)2	110.7657	3.138	3	110.7657	9.848	3	110.7657	9.848	3	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CCHH)(CH3)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(H)3	108.4815	2.860	6	108.4815	8.177	6	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6]C[5a])(CC3)(H)2	C(CC3)(H)3	110.0737	3.549	6	110.0737	12.595	6	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CC3)(H)3	109.5292	2.392	6	109.5292	5.723	6	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	C(N[5a]C[5a,6a]Si[5a])(CC3)(H)2	C(CC3)(H)3	109.7151	2.589	36	109.7151	6.702	36	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)3	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	C(N[5a]Ge[5a]C[5a])(CC3)(H)2	C(CC3)(H)3	109.3327	2.553	18	109.3327	6.517	18	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)2(CH3)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)2(CH3)2	C(N[5a]C[5a,6a]Ge[5a])(CC3)(H)2	C(CC3)(H)3	109.1047	2.889	4	109.1047	8.349	4	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)3(CH3)	C(N[5a]C[5a]2)(CC3)(H)2	C(CC3)(H)3	C(CN[5a]HH)3(CH3)	C(N[5a]C[5a]2)(CC3)(H)2	C(CC3)(H)3	110.9400	0.512	3	110.9400	0.262	3	109.5630	6.670	79	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[6]HH)(CBrHH)3	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(Br)(H)2	C(CN[6]HH)(CBrHH)3	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(Br)(H)2	109.7593	7.343	3	109.7593	53.925	3	109.7593	53.925	3	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]2)(CC3)(H)2	C(CC3)(H)3	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]2)(CC3)(H)2	C(CC3)(H)3	109.9104	3.185	12	109.9104	10.144	12	109.8110	9.499	30	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CC3)(H)3	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CC3)(H)3	109.6555	2.607	6	109.6555	6.795	6	109.8110	9.499	30	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CC3)(H)3	C(CN[6]HH)(CH3)3	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CC3)(H)3	110.0547	3.511	3	110.0547	12.328	3	109.8110	9.499	30	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)3	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	C(CN[6]HH)(CH3)3	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(H)3	109.7010	3.618	9	109.7010	13.087	9	109.8110	9.499	30	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)3	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C(CC3)(H)3	C(CN[6a]HH)(CH3)3	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C(CC3)(H)3	110.1347	3.573	3	110.1347	12.763	3	110.1347	12.763	3	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(OAl2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(OAl2)(CC3)(H)2	C(CC3)(H)3	109.0540	2.950	2	109.0540	8.703	2	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(OCoH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CHHS)(CH3)	C(OCoH)(CC3)(H)2	C(CC3)(H)3	107.3730	0.000	1	107.3730	0.000	1	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(OSn2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(OSn2)(CC3)(H)2	C(CC3)(H)3	109.2992	1.839	6	109.2992	3.382	6	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(OZn2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(OZn2)(CC3)(H)2	C(CC3)(H)3	109.1110	1.396	9	109.1110	1.948	9	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(CC3)(H)3	107.4248	0.491	5	107.4248	0.241	5	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OMo2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OMo2)(CC3)(H)2	C(CC3)(H)3	107.4055	0.009	2	107.4055	0.000	2	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OSn2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OSn2)(CC3)(H)2	C(CC3)(H)3	107.9048	0.904	52	107.9048	0.817	52	108.1333	1.436	77	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2)(CC3)(H)2	C(CC3)(H)3	108.1502	1.587	5	108.1502	2.517	5	108.1502	2.517	5	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CHHS)(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	107.5710	0.000	1	107.5710	0.000	1	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	107.8120	0.987	2	107.8120	0.974	2	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CHHS)(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	107.5326	0.712	9	107.5326	0.507	9	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	113.3275	0.151	2	113.3275	0.023	2	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CHHS)2(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CHHS)2(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(CC3)(H)3	106.1505	0.340	2	106.1505	0.116	2	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	C(SC[6a]Mo)(CC3)(H)2	C(CC3)(H)3	103.9940	0.000	1	103.9940	0.000	1	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)2(CH3)2	C(SFe2)(CC3)(H)2	C(CC3)(H)3	C(CHHS)2(CH3)2	C(SFe2)(CC3)(H)2	C(CC3)(H)3	108.9421	2.501	8	108.9421	6.257	8	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)2(CH3)2	C(SFeNi)(CC3)(H)2	C(CC3)(H)3	C(CHHS)2(CH3)2	C(SFeNi)(CC3)(H)2	C(CC3)(H)3	108.8597	3.274	4	108.8597	10.719	4	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SC[6a]Fe)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SC[6a]Fe)(CC3)(H)2	C(CC3)(H)3	105.2360	0.000	1	105.2360	0.000	1	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SCoC)(CC3)(H)2	C(CC3)(H)3	106.6610	0.570	3	106.6610	0.325	3	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(H)3	107.0933	1.204	20	107.0933	1.451	20	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SFeC)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SFeC)(CC3)(H)2	C(CC3)(H)3	104.9190	0.066	3	104.9190	0.004	3	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SNi2)(CC3)(H)2	C(CC3)(H)3	106.3310	0.590	2	106.3310	0.348	2	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)3(CH3)	C(SNiC)(CC3)(H)2	C(CC3)(H)3	C(CHHS)3(CH3)	C(SNiC)(CC3)(H)2	C(CC3)(H)3	109.4710	0.000	1	109.4710	0.000	1	107.5405	4.394	59	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)2(CH3)2	C(SeFe2)(CC3)(H)2	C(CC3)(H)3	C(CSeHH)2(CH3)2	C(SeFe2)(CC3)(H)2	C(CC3)(H)3	109.0313	2.771	6	109.0313	7.679	6	106.8770	6.749	15	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Se-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)3(CH3)	C(SeRuC)(CC3)(H)2	C(CC3)(H)3	C(CSeHH)3(CH3)	C(SeRuC)(CC3)(H)2	C(CC3)(H)3	105.4408	1.100	9	105.4408	1.210	9	106.8770	6.749	15	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NH3)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NH3)	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	111.5150	2.091	8	111.5150	4.373	8	111.5150	4.373	8	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	111.3833	1.336	8	111.3833	1.786	8	110.6997	3.805	32	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NPdHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	C(CC[6a]HH)(NPdHH)(CH3)2	C(C[6a]C[6a]2)(CCCN)(H)2	C(CCCN)(H)3	110.4718	2.090	24	110.4718	4.368	24	110.6997	3.805	32	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	C(C[5]N[5]2)(CC[5]CC)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	C(C[5]N[5]2)(CC[5]CC)(H)2	C(CC[5]CC)(H)3	109.2530	0.824	2	109.2530	0.680	2	109.2530	0.680	2	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]N[6a])(CC[5]CC)(H)2	C(CC[5]CC)(H)3	108.7455	2.129	2	108.7455	4.533	2	108.7455	4.533	2	109.1927	5.308	1248	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(OC)(H)2	103.7380	0.000	1	103.7380	0.000	1	107.9910	36.176	2	108.9642	11.053	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(OS)(H)2	112.2440	0.000	1	112.2440	0.000	1	107.9910	36.176	2	108.9642	11.053	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)2(CHHO)2	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	C(N[6]C[6]2)(CC3)(H)2	C(CC3)(OH)(H)2	111.4630	0.221	2	111.4630	0.049	2	111.4630	0.049	2	108.9642	11.053	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(OS)(H)2	C(CHHO)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(OS)(H)2	107.4385	0.047	2	107.4385	0.002	2	107.4385	0.002	2	108.9642	11.053	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(CCO)(H)2	C(CCHH)2(CH3)2	C(CC[5]O)(CC3)(H)2	C(CC3)(CCO)(H)2	110.8860	0.000	1	110.8860	0.000	1	109.6345	3.133	2	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC3)(COO)(H)2	C(CCHH)2(CH3)2	C(CC[5a]O)(CC3)(H)2	C(CC3)(COO)(H)2	108.3830	0.000	1	108.3830	0.000	1	109.6345	3.133	2	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(COO)(H)2	C(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(COO)(H)2	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)2	C(NC[6a]H)(CC3)(H)2	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	C(NC[6a]H)(CC3)(H)2	C(CC3)(NCH)(H)2	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N[4]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2)(CC3)(H)2	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2)(CC3)(H)2	C(CC3)(NCC)(H)2	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N[5a]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(CCC)(H)2	C(CN[5a]HH)(CCHH)(CH3)2	C(N[5a]C[5a]N[5a])(CC3)(H)2	C(CC3)(CCC)(H)2	111.6033	0.070	3	111.6033	0.005	3	111.6033	0.005	3	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(NHH)(H)2	C(CHHN)(CHHS)2(CH3)	C(SFe2)(CC3)(H)2	C(CC3)(NHH)(H)2	109.8735	4.324	2	109.8735	18.697	2	109.8735	18.697	2	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	O-3:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)3(NH3)	C(OCrMo)(CCCN)(H)2	C(CCCN)(OMo2)(H)2	C(CHHO)3(NH3)	C(OCrMo)(CCCN)(H)2	C(CCCN)(OMo2)(H)2	108.0280	0.875	2	108.0280	0.766	2	108.0280	0.766	2	110.0705	3.748	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:2:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:C-3:N-2:H-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)(NC)(H)	C(CCHH)(CCHN)(CF3)(CH3)	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)(NC)(H)	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	112.3830	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:3:3:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)(CCHH)(CH3)2	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)2(H)	C(CCCH)(CCHH)(CH3)2	C(CC[6a]O)(CC3)(H)2	C(CC3)(COO)2(H)	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(CH3)	C(CC[6]O)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	C(CC[6]O)(CC3)(H)2	C(CCHH)(CC3)(H)2	107.3190	0.000	1	107.3190	0.000	1	107.3190	0.000	1	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(C[5]N[5]S[5]C)(CC3)(H)2	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5a]N[5a]S[5a])(CC3)(H)2	C(C[5]N[5]S[5]C)(CC3)(H)2	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	104.0180	0.000	1	104.0180	0.000	1	104.0180	0.000	1	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CCHH)(CC3)(H)2	107.9255	0.128	2	107.9255	0.016	2	109.5137	7.575	3	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CHHO)(CC3)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CHHO)(CC3)(H)2	112.6900	0.000	1	112.6900	0.000	1	109.5137	7.575	3	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHP)3	C(C[6a]C[6a]2)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	C(C[6a]C[6a]2)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	107.9217	2.394	3	107.9217	5.729	3	107.9217	5.729	3	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)3	C(NFeC)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)(CHHN)3	C(NFeC)(CC3)(H)2	C(CC3)(CH3)(H)2	108.7293	1.301	3	108.7293	1.692	3	108.7293	1.692	3	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(CC3)(CH3)(H)2	106.8980	2.564	2	106.8980	6.574	2	106.8980	6.574	2	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(OCr3)(CC3)(H)2	C(CCHH)(CHHO)3	C(OCr2)(CC3)(H)2	C(OCr3)(CC3)(H)2	112.4370	1.502	2	112.4370	2.256	2	111.6175	1.225	8	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(OFe3)(CC3)(H)2	C(CHHO)3(CH3)	C(OFe2)(CC3)(H)2	C(OFe3)(CC3)(H)2	111.3443	0.952	6	111.3443	0.906	6	111.6175	1.225	8	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(CC3)(CH3)(H)2	109.2400	2.671	4	109.2400	7.136	4	109.2400	7.136	4	109.3928	6.456	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:2:1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CCHH)(CC3)(OC)(H)	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(C[6]C[6]2)(CC3)(H)2	C(CCHH)(CC3)(OC)(H)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	S-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	C(SFe2)(CC3)(H)2	C(CC3)(CH3)2(H)	108.2980	2.651	8	108.2980	7.028	8	108.2980	7.028	8	108.2980	7.028	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	3:4:4:4:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:C-4:	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(C[6a]C[6a]2)(CC3)(CH3)2	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.6540	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5]C)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5]C)(CC3)(OH)(H)	C(CC3)(H)3	109.5035	2.571	18	109.5035	6.612	18	109.5296	6.114	24	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5a]C)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5a]C)(CC3)(OH)(H)	C(CC3)(H)3	109.6078	2.373	6	109.6078	5.633	6	109.5296	6.114	24	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)3	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[5]HO)(CH3)3	C(C[5]C[5]2)(CC3)(OC)(H)	C(CC3)(H)3	109.6833	0.955	6	109.6833	0.912	6	109.5350	2.213	9	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)3	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC3)(H)3	C(CC[5]HO)(CH3)3	C(C[5]N[5]O[5])(CC3)(OP)(H)	C(CC3)(H)3	109.2383	2.524	3	109.2383	6.373	3	109.5350	2.213	9	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC3)(H)3	109.5376	1.303	9	109.5376	1.699	9	109.5376	1.699	9	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC3)(H)3	109.7940	1.579	3	109.7940	2.492	3	109.7940	2.492	3	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(OC)(H)	C(CC3)(H)3	108.5805	1.184	2	108.5805	1.403	2	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	109.3225	0.325	2	109.3225	0.105	2	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CC3)(H)3	110.0947	1.900	6	110.0947	3.612	6	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)3	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C(CC3)(H)3	110.0870	2.244	3	110.0870	5.035	3	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)3	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	C(C[6a]C[6a,6a]N[6a])(CC3)(OC)(H)	C(CC3)(H)3	109.3757	2.094	3	109.3757	4.384	3	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)3	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	109.6762	2.986	6	109.6762	8.915	6	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)3	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	C(C[6a]N[6a]2)(CC3)(OH)(H)	C(CC3)(H)3	109.5367	3.252	3	109.5367	10.575	3	109.6572	4.527	25	109.5882	4.144	70	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(OH)(H)2	110.9580	0.158	2	110.9580	0.025	2	110.9580	0.025	2	110.9580	0.025	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(CCHN)	C(CN[5]O)(CC3)(NN)(H)	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	C(CN[5]O)(CC3)(NN)(H)	C(CC3)(CH3)(H)2	109.0460	3.200	3	109.0460	10.239	3	109.0460	10.239	3	109.8663	5.097	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CCHO)(CC3)(H)2	C(CC[6a]HO)(CCHH)(CH3)2	C(C[6a]C[6a]2)(CC3)(OSi)(H)	C(CCHO)(CC3)(H)2	110.6867	0.697	3	110.6867	0.486	3	110.6867	0.486	3	109.8663	5.097	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(C[6a]C[6a]2)(CC3)(H)2	108.4235	0.381	2	108.4235	0.145	2	108.4235	0.145	2	108.4235	0.145	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	3:4:2:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:O-2:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(C[6a]C[6a]2)(CC3)(OH)(H)	108.7070	0.858	2	108.7070	0.737	2	108.7070	0.737	2	108.7070	0.737	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CN[5]O)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CN[5]O)(CC3)(NCH)(H)	C(CC3)(H)3	109.8680	1.879	12	109.8680	3.531	12	109.8680	3.531	12	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)3	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC3)(H)3	C(CC[5a]HN)(CH3)3	C(C[5a]C[5a]O[5a])(CC3)(NHS)(H)	C(CC3)(H)3	109.2003	1.515	3	109.2003	2.296	3	109.2003	2.296	3	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(H)3	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(H)3	111.6865	0.422	2	111.6865	0.178	2	111.6865	0.178	2	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]2)(CC3)(NHS)(H)	C(CC3)(H)3	109.8077	2.433	3	109.8077	5.921	3	109.8077	5.921	3	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(NNiC)(CC3)(COO)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(NNiC)(CC3)(COO)(H)	C(CC3)(H)3	110.4370	2.568	3	110.4370	6.593	3	110.2093	4.782	7	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CCHN)(CH3)2	C(NPdS)(CC3)(COO)(H)	C(CC3)(H)3	C(CPdHH)(CCHN)(CH3)2	C(NPdS)(CC3)(COO)(H)	C(CC3)(H)3	110.0385	2.253	4	110.0385	5.078	4	110.2093	4.782	7	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CC3)(H)3	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(CNO)(H)	C(CC3)(H)3	110.8150	1.989	6	110.8150	3.957	6	110.3098	3.934	15	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(COO)(H)	C(CC3)(H)3	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(COO)(H)	C(CC3)(H)3	109.9730	2.023	9	109.9730	4.093	9	110.3098	3.934	15	110.1173	3.618	42	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(OH)(H)2	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC3)(OH)(H)2	108.4090	0.617	2	108.4090	0.380	2	108.4090	0.380	2	108.4090	0.380	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:3:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CCHH)(CC3)(H)2	107.6925	0.060	2	107.6925	0.004	2	107.6925	0.004	2	107.6925	0.004	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	3:4:4:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C(CCHN)2(CH3)2	C(NC[6a]H)(CC3)(CH3)(H)	C(NC[6a]H)(CC3)(CH3)(H)	C(CCHN)2(CH3)2	C(NC[6a]H)(CC3)(CH3)(H)	C(NC[6a]H)(CC3)(CH3)(H)	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	113.0420	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[6a]O)(CHHN)(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[6a]O)(CHHN)(CC3)(H)	C(CC3)(H)3	110.2253	1.563	3	110.2253	2.443	3	110.2253	2.443	3	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	111.4717	2.184	6	111.4717	4.770	6	111.4717	4.770	6	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)3	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC3)(H)3	C(CC[6]HN)(CH3)3	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C(CC3)(H)3	109.9083	1.823	3	109.9083	3.324	3	109.9083	3.324	3	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CC[6a]HH)(CC3)(H)	C(CC3)(H)3	110.4281	1.697	9	110.4281	2.880	9	110.3773	2.615	12	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)3	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	C(C[6a]N[6a]2)(CC3)(CH3)(H)	C(CC3)(H)3	110.2250	1.678	3	110.2250	2.816	3	110.3773	2.615	12	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(O)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(O)	C(CC3)(H)3	112.7118	2.933	36	112.7118	8.603	36	112.7118	8.603	36	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	C(C[6a]C[6a]2)(NPdCC)(CC3)(H)	C(CC3)(H)3	111.2217	3.240	3	111.2217	10.499	3	111.2217	10.499	3	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CCHN)(CH3)	C(NFeC)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHH)2(CCHN)(CH3)	C(NFeC)(CC3)(CH3)(H)	C(CC3)(H)3	111.8635	0.467	2	111.8635	0.218	2	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(NC[6a]H)(CC3)2(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(NC[6a]H)(CC3)2(H)	C(CC3)(H)3	111.4217	3.268	12	111.4217	10.682	12	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(NCoC)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(NCoC)(CC3)(CH3)(H)	C(CC3)(H)3	110.3483	2.606	6	110.3483	6.790	6	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(NFeC)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(NFeC)(CC3)(CH3)(H)	C(CC3)(H)3	109.8183	1.865	6	109.8183	3.477	6	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(NNiC)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(NNiC)(CC3)(CH3)(H)	C(CC3)(H)3	110.4252	2.292	86	110.4252	5.254	86	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)2(CH3)2	C(NC[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCHN)2(CH3)2	C(NC[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	109.1917	1.919	4	109.1917	3.684	4	110.4752	5.659	116	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CC3)(H)3	C(CN[5]CH)(CH3)3	C(N[5]C[5]2)(CC3)(CH3)(H)	C(CC3)(H)3	109.8678	2.763	6	109.8678	7.633	6	110.1288	8.357	9	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)3	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CC3)(H)3	C(CN[5]CH)(CH3)3	C(N[5]C[5]P[5])(CC3)(CH3)(H)	C(CC3)(H)3	110.6507	3.706	3	110.6507	13.733	3	110.1288	8.357	9	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C[6a]-3:C-4:S-4:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C(C[6a]C[6a]2)(CC[6]CC)(SNOO)(H)	C(CC[6]CC)(H)3	110.0405	2.646	4	110.0405	7.004	4	110.0405	7.004	4	110.8932	6.713	192	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCHN)(CH3)	C(NFeC)(CC3)(CH3)(H)	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	C(NFeC)(CC3)(CH3)(H)	C(CC3)(CH3)(H)2	108.0270	1.413	4	108.0270	1.997	4	108.0270	1.997	4	108.0270	1.997	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CC3)(H)2	110.6510	0.635	2	110.6510	0.403	2	110.6510	0.403	2	110.6510	0.403	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	3:4:3:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-3:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(C[6a]C[6a]2)(CC3)(CCH)(H)	109.9075	0.042	2	109.9075	0.002	2	109.9075	0.002	2	109.9075	0.002	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[5a]CO)(CH3)3	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC3)(H)3	C(CC[5a]CO)(CH3)3	C(C[5a]C[5a]S[5a])(CC3)2(OH)	C(CC3)(H)3	111.8058	3.383	6	111.8058	11.448	6	111.8058	11.448	6	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCo)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCo)	C(CC3)(H)3	112.1427	3.717	24	112.1427	13.813	24	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCr)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OCr)	C(CC3)(H)3	112.0470	2.880	35	112.0470	8.292	35	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OFe)	C(CC3)(H)3	112.1190	3.206	45	112.1190	10.276	45	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OMg)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OMg)	C(CC3)(H)3	112.3572	3.882	6	112.3572	15.070	6	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(ORu)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(ORu)	C(CC3)(H)3	112.0280	3.160	6	112.0280	9.987	6	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OZn)	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(C[6a]C[6a]2)(CC3)2(OZn)	C(CC3)(H)3	112.2933	3.059	12	112.2933	9.356	12	112.1270	10.086	128	112.1126	10.066	134	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:2:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CCHH)(CC3)(H)2	C(CC[6a]CH)(CC[6a]CO)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(CCHH)(CC3)(OH)	C(CCHH)(CC3)(H)2	112.1115	0.853	2	112.1115	0.728	2	112.1115	0.728	2	112.1115	0.728	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC3)(H)3	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(C[6a]C[6a]2)(CC3)(CH3)2	C(CC3)(H)3	110.8190	1.308	2	110.8190	1.711	2	110.8190	1.711	2	111.3854	4.355	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(OFeLi)(CC3)2(CH3)	C(CC3)(H)3	C(CCCO)(CH3)3	C(OFeLi)(CC3)2(CH3)	C(CC3)(H)3	112.1135	2.566	6	112.1135	6.584	6	112.1135	6.584	6	111.3854	4.355	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(C[5]C[5]2)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	110.5765	1.509	4	110.5765	2.278	4	110.5765	2.278	4	111.3854	4.355	12	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:2:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC3)(OH)(H)2	112.6625	0.176	2	112.6625	0.031	2	112.6625	0.031	2	112.6625	0.031	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:3:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC3)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CC3)(CCH)(H)2	109.3265	0.409	2	109.3265	0.168	2	109.3265	0.168	2	109.3265	0.168	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	3:4:4:4:	4:4:2:1:	C-4:C-4:C-4:C-4:	C[5]-3:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CCHH)(CC3)(OC)(H)	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(C[5]C[5]2)(CCHH)(CHHO)(CC3)	C(CCHH)(CC3)(OC)(H)	115.2140	0.407	2	115.2140	0.166	2	115.2140	0.166	2	115.2140	0.166	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	As-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(AsIrCO)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	C(AsIrCO)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	110.1930	1.728	12	110.1930	2.986	12	109.3949	1.954	100	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	As-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(AsMoCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	C(AsMoCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	109.1432	1.138	46	109.1432	1.296	46	109.3949	1.954	100	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	As-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(AsPdCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	C(AsPdCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	110.1658	1.086	6	110.1658	1.179	6	109.3949	1.954	100	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	As-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(AsRuCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	C(AsRuCC)(CH3)3	C(CAsCC)(H)3	C(CAsCC)(H)3	109.3219	1.531	36	109.3219	2.345	36	109.3949	1.954	100	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	As[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(As[4]In[4]2C)(CH3)3	C(CAs[4]CC)(H)3	C(CAs[4]CC)(H)3	C(As[4]In[4]2C)(CH3)3	C(CAs[4]CC)(H)3	C(CAs[4]CC)(H)3	109.4862	1.540	6	109.4862	2.371	6	109.4862	2.371	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[5]N[6]H)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[5]N[6]H)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	108.1650	0.306	3	108.1650	0.094	3	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[5]Te2)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[5]Te2)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.4020	0.209	6	107.4020	0.044	6	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[6]N[5]2)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[6]N[5]2)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.0857	1.379	3	107.0857	1.901	3	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BC[6]N[5]O)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BC[6]N[5]O)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.6360	1.135	3	107.6360	1.288	3	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BClBP)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BClBP)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.3067	0.587	3	107.3067	0.345	3	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BN[5]2O)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BN[5]2O)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	107.5807	1.570	3	107.5807	2.464	3	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(BN[5]3)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	C(BN[5]3)(CH3)3	C(CBCC)(H)3	C(CBCC)(H)3	106.9053	0.910	9	106.9053	0.829	9	107.3294	0.808	30	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[3]C[3]C[5]N[3])(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	C(B[3]C[3]C[5]N[3])(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	107.7390	0.427	3	107.7390	0.182	3	107.9531	0.170	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[3]C[5]S[3]2)(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	C(B[3]C[5]S[3]2)(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	108.1497	0.523	3	108.1497	0.274	3	107.9531	0.170	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[3]Se[3]2C[5])(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	C(B[3]Se[3]2C[5])(CH3)3	C(CB[3]CC)(H)3	C(CB[3]CC)(H)3	107.9707	0.310	3	107.9707	0.096	3	107.9531	0.170	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[3x4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	C(CB[3x4]CC)(H)3	C(CB[3x4]CC)(H)3	C(B[3x4]Se[4,4]P[4,4]2)(CH3)3	C(CB[3x4]CC)(H)3	C(CB[3x4]CC)(H)3	107.8625	0.637	6	107.8625	0.405	6	107.8625	0.405	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]C[4]N[4]Rh)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]C[4]N[4]Rh)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	108.5340	1.107	6	108.5340	1.225	6	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]C[5]S[4]2)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]C[5]S[4]2)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	107.7997	0.776	3	107.7997	0.602	3	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]P[4]2Br)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]P[4]2Br)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	108.0040	2.316	3	108.0040	5.366	3	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]P[4]2Cl)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]P[4]2Cl)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	106.8700	1.262	6	106.8700	1.592	6	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]P[4]2H)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	107.3290	0.684	6	107.3290	0.468	6	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]P[4]2Sn)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]P[4]2Sn)(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	106.4907	0.399	3	106.4907	0.159	3	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	C(B[4]Se[4]2C[5])(CH3)3	C(CB[4]CC)(H)3	C(CB[4]CC)(H)3	107.6040	0.666	12	107.6040	0.444	12	107.5520	1.227	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[5]C[5,5]C[5]Cl)(CH3)3	C(CB[5]CC)(H)3	C(CB[5]CC)(H)3	C(B[5]C[5,5]C[5]Cl)(CH3)3	C(CB[5]CC)(H)3	C(CB[5]CC)(H)3	107.1373	1.526	3	107.1373	2.328	3	107.1373	2.328	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[6]N[5,6]2C[6a])(CH3)3	C(CB[6]CC)(H)3	C(CB[6]CC)(H)3	C(B[6]N[5,6]2C[6a])(CH3)3	C(CB[6]CC)(H)3	C(CB[6]CC)(H)3	106.5957	1.003	6	106.5957	1.006	6	106.5957	1.006	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CBrHH)3(CHHO)	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	C(CBrHH)3(CHHO)	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	109.8178	3.456	6	109.8178	11.943	6	110.0346	9.627	11	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[5]HH)2(CBrHH)2	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	C(CN[5]HH)2(CBrHH)2	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	112.1610	0.272	2	112.1610	0.074	2	110.0346	9.627	11	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:Br-1:H-1:H-1:	C(CN[6]HH)(CBrHH)3	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	C(CN[6]HH)(CBrHH)3	C(CC3)(Br)(H)2	C(CC3)(Br)(H)2	109.0507	3.483	3	109.0507	12.128	3	110.0346	9.627	11	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(CHHO)(CH3)2	C(CC3)(Br)(H)2	C(CC3)(H)3	C(CBrHH)(CHHO)(CH3)2	C(CC3)(Br)(H)2	C(CC3)(H)3	108.4325	2.384	2	108.4325	5.682	2	108.4325	5.682	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)2(CHHO)2	C(CC3)(Cl)(H)2	C(CC3)(Cl)(H)2	C(CClHH)2(CHHO)2	C(CC3)(Cl)(H)2	C(CC3)(Cl)(H)2	108.1270	0.000	1	108.1270	0.000	1	109.1580	2.126	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CClHH)2(CSbHH)2	C(CC3)(Cl)(H)2	C(CC3)(Cl)(H)2	C(CClHH)2(CSbHH)2	C(CC3)(Cl)(H)2	C(CC3)(Cl)(H)2	110.1890	0.000	1	110.1890	0.000	1	109.1580	2.126	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAsHH)2(CClHH)(CH3)	C(CC3)(Cl)(H)2	C(CC3)(H)3	C(CAsHH)2(CClHH)(CH3)	C(CC3)(Cl)(H)2	C(CC3)(H)3	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)3	C(CC3)(F)3	C(CC3)(F)3	C(CCHH)(CF3)3	C(CC3)(F)3	C(CC3)(F)3	108.9840	0.591	3	108.9840	0.350	3	108.9840	0.350	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(F)3	C(CC3)(H)3	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(F)3	C(CC3)(H)3	108.9300	0.000	1	108.9300	0.000	1	107.7962	0.452	5	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:F-1:F-1:F-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CF3)(CH3)2	C(CC3)(F)3	C(CC3)(H)3	C(CC[5]HH)(CF3)(CH3)2	C(CC3)(F)3	C(CC3)(H)3	107.5127	0.260	4	107.5127	0.067	4	107.7962	0.452	5	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAl2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAl2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6907	0.861	6	108.6907	0.741	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAlHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7901	1.212	15	108.7901	1.470	15	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAlNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5909	1.953	32	108.5909	3.814	32	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAu2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CAu2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.1170	0.609	3	110.1170	0.371	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CBHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.1268	0.981	12	108.1268	0.963	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBr2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CBr2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5607	0.642	3	108.5607	0.412	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CC3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.8570	0.000	1	107.8570	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CBrCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.4550	1.027	2	109.4550	1.054	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CBrCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0647	1.032	3	109.0647	1.066	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CBrHH)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	110.9220	0.000	1	110.9220	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC3)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.9803	0.741	3	106.9803	0.549	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.2510	0.000	1	109.2510	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3592	1.028	98	108.3592	1.057	98	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCCH)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.8590	0.000	1	109.8590	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.9732	1.550	258	106.9732	2.403	258	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CC3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CC3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.8640	0.000	1	107.8640	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.7980	0.000	1	108.7980	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.9052	0.936	6	108.9052	0.876	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6399	1.524	454	108.6399	2.323	454	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.7817	0.763	3	109.7817	0.583	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHS)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)(CHHS)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.8800	0.000	1	108.8800	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.6593	0.665	23	109.6593	0.442	23	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHI)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHI)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9388	1.374	6	108.9388	1.889	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8802	1.247	346	108.8802	1.555	346	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHN)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	106.7630	0.000	1	106.7630	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2452	0.936	169	109.2452	0.877	169	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	110.6590	0.000	1	110.6590	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCHO)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	106.8820	0.000	1	106.8820	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4407	0.938	3	108.4407	0.880	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCHW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.7173	1.265	3	107.7173	1.600	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[3]CH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.0670	0.528	4	108.0670	0.279	4	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[3]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7523	0.237	3	108.7523	0.056	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[4]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9600	0.811	6	108.9600	0.658	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5,5]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.2553	1.769	3	107.2553	3.131	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]BrH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6920	0.672	3	108.6920	0.452	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0907	1.490	51	108.0907	2.221	51	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]ClH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]ClH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6813	1.183	3	108.6813	1.398	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.1484	1.040	5	108.1484	1.082	5	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CF3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HH)(CF3)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.6890	0.355	2	109.6890	0.126	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9842	1.520	125	108.9842	2.311	125	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HI)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HI)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7997	1.657	3	108.7997	2.747	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HO)(CCHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	106.8915	0.517	2	106.8915	0.267	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1235	0.984	12	109.1235	0.968	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]HW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6267	0.454	3	108.6267	0.207	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]MoH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]MoH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.1083	1.128	3	108.1083	1.272	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]2C[6a])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]2C[6a])(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.2957	0.885	3	107.2957	0.782	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.9833	0.586	6	106.9833	0.343	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.4340	0.000	1	108.4340	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3915	0.620	12	109.3915	0.385	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7290	0.732	3	109.7290	0.535	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5a]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2130	0.727	3	109.2130	0.528	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6,6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1650	0.327	9	109.1650	0.107	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6,6]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8337	0.410	3	108.8337	0.168	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]2F)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]2F)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6790	1.133	6	108.6790	1.283	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]2F)(CNiHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]2F)(CNiHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.3568	0.209	4	109.3568	0.044	4	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]2H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]2H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6737	2.614	6	108.6737	6.835	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8400	1.153	6	108.8400	1.330	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9737	2.422	3	108.9737	5.868	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0829	1.757	18	109.0829	3.086	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]2H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4001	0.719	16	108.4001	0.517	16	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.6020	0.000	1	109.6020	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CC)(CC[6a]HO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.2490	0.000	1	107.2490	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9025	0.760	21	108.9025	0.578	21	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]CO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.4447	1.035	187	106.4447	1.072	187	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]C[6]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9103	0.445	3	108.9103	0.198	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]C[6]Mn)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]C[6]Mn)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	106.4853	2.141	18	106.4853	4.585	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	110.2580	0.000	1	110.2580	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5461	0.830	18	108.5461	0.689	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6156	1.427	9	108.6156	2.035	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.1707	0.188	3	109.1707	0.035	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]HO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2493	0.516	15	109.2493	0.266	15	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[6a]N[5]H)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5432	1.232	71	108.5432	1.517	71	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCaNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCaNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.5719	1.813	26	107.5719	3.289	26	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCeCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCeCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0149	0.790	18	108.0149	0.624	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCeNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCeNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1014	1.528	12	109.1014	2.334	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CClCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7058	2.145	9	108.7058	4.601	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCo2C)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CCo2C)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.3073	0.389	3	109.3073	0.152	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7133	0.716	3	108.7133	0.513	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8925	1.070	6	108.8925	1.146	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoCW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoCW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4373	1.152	3	108.4373	1.328	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5523	0.816	12	108.5523	0.666	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoMoC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoMoC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.2915	1.393	6	107.2915	1.940	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCoOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCoOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.6460	1.678	3	109.6460	2.817	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCrHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCrHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.8707	1.378	12	107.8707	1.898	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCrNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCrNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.1830	2.570	3	108.1830	6.604	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCuCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCuCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3830	0.538	3	109.3830	0.289	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CFeCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.8043	0.678	3	107.8043	0.460	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CFeCH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.9120	0.000	1	107.9120	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CFeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2457	1.162	3	109.2457	1.350	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CFeHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.2747	2.214	9	108.2747	4.902	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CFeOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.1816	1.851	9	110.1816	3.425	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGaHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CGaHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7556	0.566	11	108.7556	0.321	11	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGdCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CGdCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2830	0.950	18	109.2830	0.902	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CGeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CGeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7853	0.829	3	108.7853	0.687	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3755	1.059	335	109.3755	1.121	335	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.7540	0.664	5	109.7540	0.441	5	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CHHN)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.7983	0.760	145	109.7983	0.577	145	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.8888	1.227	78	109.8888	1.505	78	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CHHO)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	110.2753	0.655	22	110.2753	0.429	22	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5607	1.077	45	108.5607	1.160	45	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CHHP)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	107.9184	0.824	10	107.9184	0.679	10	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHS)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3246	0.955	5	109.3246	0.911	5	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CHHS)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.0660	0.502	3	108.0660	0.252	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHV)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHV)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4951	0.486	8	108.4951	0.237	8	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHHW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6836	0.534	12	108.6836	0.286	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHNP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0029	1.162	57	108.0029	1.350	57	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHPW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CHPW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.9987	0.461	3	107.9987	0.213	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CIrCP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CIrCP)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8807	1.364	3	108.8807	1.860	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CLaCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CLaCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0094	0.812	18	108.0094	0.659	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CLuNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CLuNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.2944	3.431	12	107.2944	11.772	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMgNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMgNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.6303	1.754	18	107.6303	3.077	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.2544	1.293	93	108.2544	1.671	93	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7217	0.743	18	108.7217	0.552	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6902	0.610	18	108.6902	0.372	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CMoOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CMoOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.1337	2.549	3	110.1337	6.500	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNNY)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNNY)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.0795	3.290	21	107.0795	10.827	21	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNOU)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNOU)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4240	0.931	12	108.4240	0.867	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.3500	1.262	3	108.3500	1.592	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]CH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6414	1.439	24	108.6414	2.072	24	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3747	0.827	170	109.3747	0.683	170	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]HH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.0033	0.448	3	109.0033	0.201	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2460	0.928	64	109.2460	0.861	64	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CN[5a]HH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	109.8410	0.000	1	109.8410	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[6]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0956	0.770	30	109.0956	0.593	30	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[6a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CN[6a]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7547	0.469	3	108.7547	0.220	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNdCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNdCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.9699	0.735	17	107.9699	0.540	17	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNi2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNi2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6483	0.778	3	108.6483	0.605	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNiCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6528	0.774	6	108.6528	0.599	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNiHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6833	0.342	3	108.6833	0.117	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNiOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.9190	6.916	3	109.9190	47.834	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNiTaC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNiTaC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9930	0.900	23	108.9930	0.809	23	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(COOW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(COOW)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.0760	3.030	3	110.0760	9.183	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(COsCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(COsCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6093	1.016	3	108.6093	1.033	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[3]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CP[3]HH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1393	0.683	3	109.1393	0.467	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPdCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0883	1.462	3	108.0883	2.139	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPdCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.6477	0.523	6	108.6477	0.274	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.2390	0.481	2	108.2390	0.231	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CCHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CCHN)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.7830	0.000	2	108.7830	0.000	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPdHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5022	1.265	9	108.5022	1.599	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPdOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.7762	1.023	6	109.7762	1.046	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPrCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPrCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.9648	0.804	18	107.9648	0.646	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtCH)(CPtHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CPtCH)(CPtHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	110.1265	0.107	2	110.1265	0.011	2	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CPtHH)(CCHH)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.6956	0.447	5	108.6956	0.200	5	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CPtHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.3472	1.342	17	108.3472	1.801	17	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2425	1.364	6	109.2425	1.860	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.6563	1.356	3	107.6563	1.838	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.0710	1.043	6	108.0710	1.087	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.5567	0.646	3	108.5567	0.417	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRhOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRhOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.5940	2.227	3	109.5940	4.961	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRu2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRu2C)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.8883	0.442	3	108.8883	0.196	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRuCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4187	0.710	6	108.4187	0.505	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRuCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4959	7.768	6	109.4959	60.349	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CRuOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.0911	0.643	9	110.0911	0.413	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CScHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CScHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.4232	0.757	18	108.4232	0.574	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CScNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CScNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.3718	3.806	6	107.3718	14.485	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSeCH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.7617	0.864	3	108.7617	0.746	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSeHH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CSeHH)2(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.4600	0.450	3	108.4600	0.203	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSiHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0670	0.943	3	109.0670	0.889	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSiHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0173	0.238	3	109.0173	0.057	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSiHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1792	1.188	6	109.1792	1.412	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSmOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSmOO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.1093	0.628	3	110.1093	0.395	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSrCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CSrCC)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.7863	1.121	12	107.7863	1.257	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTaHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.7908	1.681	9	107.7908	2.825	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaHH)(CTaOO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	C(CTaHH)(CTaOO)(CH3)2	C(CC3)(H)3	C(CC3)(H)3	108.6480	0.000	1	108.6480	0.000	1	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTaNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.2768	1.257	6	109.2768	1.580	6	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiCN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.6020	1.536	12	107.6020	2.360	12	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3307	2.621	3	109.3307	6.872	3	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CYbCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CYbCO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.3413	1.099	18	109.3413	1.207	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CYbNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CYbNN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.8971	2.097	9	107.8971	4.395	9	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CZrHH)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.1131	0.609	18	108.1131	0.371	18	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CZrNO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.0751	1.050	28	109.0751	1.102	28	108.6115	2.416	3891	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	110.6720	0.846	11	110.6720	0.716	11	111.4409	0.594	213	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]HH)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	110.5680	0.780	4	110.5680	0.608	4	111.4409	0.594	213	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	C(CH3)3(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	111.4852	0.723	190	111.4852	0.523	190	111.4409	0.594	213	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(H)3	C(CCCN)(H)3	111.8834	0.964	8	111.8834	0.929	8	111.4409	0.594	213	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PC3)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PC3)	C(CCCP)(H)3	C(CCCP)(H)3	108.1735	1.479	248	108.1735	2.187	248	108.7844	2.452	395	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(PO3)	C(CCCP)(H)3	C(CCCP)(H)3	C(CH3)3(PO3)	C(CCCP)(H)3	C(CCCP)(H)3	109.8150	1.101	147	109.8150	1.212	147	108.7844	2.452	395	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SC3)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SC3)	C(CCCS)(H)3	C(CCCS)(H)3	108.7947	0.178	3	108.7947	0.032	3	110.4004	2.674	8	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)3(SO3)	C(CCCS)(H)3	C(CCCS)(H)3	C(CH3)3(SO3)	C(CCCS)(H)3	C(CCCS)(H)3	111.0377	0.794	3	111.0377	0.631	3	110.4004	2.674	8	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SO3)	C(CCCS)(H)3	C(CCCS)(H)3	C(CHHN)(CH3)2(SO3)	C(CCCS)(H)3	C(CCCS)(H)3	111.8530	2.055	2	111.8530	4.222	2	110.4004	2.674	8	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	C(CCNP)(H)3	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	C(CCNP)(H)3	111.0547	0.562	12	111.0547	0.316	12	111.0547	0.316	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCCH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NCCH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	112.0170	0.000	1	112.0170	0.000	1	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.7340	1.195	24	110.7340	1.427	24	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CCHH)(NHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.8820	0.000	1	111.8820	0.000	1	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[5]HH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.1940	0.689	2	111.1940	0.474	2	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]HH)(NCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.7300	0.983	4	110.7300	0.967	4	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(NPdHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CC[6a]HH)(NPdHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.0995	0.384	12	110.0995	0.147	12	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NHHV)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CHHN)(NHHV)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.6950	0.000	1	110.6950	0.000	1	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[3]HH)(NCuHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(CN[3]HH)(NCuHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.5850	0.729	5	110.5850	0.532	5	110.6327	0.975	50	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(PCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(CCHH)(PCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	110.2210	1.140	4	110.2210	1.299	4	109.8388	2.906	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CIrHH)(PIrCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(CIrHH)(PIrCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	109.6130	0.696	4	109.6130	0.484	4	109.8388	2.906	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(PPdCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(CPdHH)(PPdCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	106.9820	0.000	1	106.9820	0.000	1	109.8388	2.906	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(PPtCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(CPtHH)(PPtCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	110.5823	2.829	3	110.5823	8.002	3	109.8388	2.906	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:Si-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	108.9447	0.377	4	108.9447	0.142	4	108.9447	0.142	4	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3,5]C[3,3,5]2Nb[10x3])(CH3)3	C(CC[3,3,5]CC)(H)3	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]2Nb[10x3])(CH3)3	C(CC[3,3,5]CC)(H)3	C(CC[3,3,5]CC)(H)3	109.0660	0.586	12	109.0660	0.344	12	109.0237	0.695	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	C(CC[3,3,5]CC)(H)3	C(CC[3,3,5]CC)(H)3	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	C(CC[3,3,5]CC)(H)3	C(CC[3,3,5]CC)(H)3	108.9392	1.262	6	108.9392	1.593	6	109.0237	0.695	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3]C[3,3]P[3]2)(CH3)3	C(CC[3,3]CC)(H)3	C(CC[3,3]CC)(H)3	C(C[3,3]C[3,3]P[3]2)(CH3)3	C(CC[3,3]CC)(H)3	C(CC[3,3]CC)(H)3	108.7442	0.569	6	108.7442	0.324	6	108.7442	0.324	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,3x5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	C(CC[3,3x5]CC)(H)3	C(CC[3,3x5]CC)(H)3	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	C(CC[3,3x5]CC)(H)3	C(CC[3,3x5]CC)(H)3	107.7938	2.744	6	107.7938	7.529	6	107.7938	7.529	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,4,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	C(CC[3,4,4]CC)(H)3	C(CC[3,4,4]CC)(H)3	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	C(CC[3,4,4]CC)(H)3	C(CC[3,4,4]CC)(H)3	109.5513	0.879	6	109.5513	0.773	6	109.5513	0.773	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,4,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	C(CC[3,4,5,6]CC)(H)3	C(CC[3,4,5,6]CC)(H)3	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	C(CC[3,4,5,6]CC)(H)3	C(CC[3,4,5,6]CC)(H)3	109.4303	1.087	3	109.4303	1.183	3	109.4303	1.183	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,4,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	C(CC[3,4,6,6]CC)(H)3	C(CC[3,4,6,6]CC)(H)3	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	C(CC[3,4,6,6]CC)(H)3	C(CC[3,4,6,6]CC)(H)3	109.1363	0.976	3	109.1363	0.952	3	109.1363	0.952	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	C(CC[3,5,5,6]CC)(H)3	C(CC[3,5,5,6]CC)(H)3	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	C(CC[3,5,5,6]CC)(H)3	C(CC[3,5,5,6]CC)(H)3	108.7473	2.348	3	108.7473	5.512	3	108.7473	5.512	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	C(CC[3,5,6,6]CC)(H)3	C(CC[3,5,6,6]CC)(H)3	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	C(CC[3,5,6,6]CC)(H)3	C(CC[3,5,6,6]CC)(H)3	108.7140	0.859	3	108.7140	0.738	3	108.7140	0.738	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]2C[5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]2C[5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	109.0945	1.051	6	109.0945	1.105	6	108.4602	1.742	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[3]C[5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[3]C[5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	107.8560	1.648	3	107.8560	2.717	3	108.4602	1.742	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	108.0463	1.129	3	108.0463	1.274	3	108.4602	1.742	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	C(CC[3,5]CC)(H)3	C(CC[3,5]CC)(H)3	108.3350	1.548	6	108.3350	2.397	6	108.4602	1.742	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	C(CC[3,6]CC)(H)3	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	C(CC[3,6]CC)(H)3	C(CC[3,6]CC)(H)3	108.5345	1.568	2	108.5345	2.458	2	108.7848	3.217	5	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	C(CC[3,6]CC)(H)3	C(CC[3,6]CC)(H)3	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	C(CC[3,6]CC)(H)3	C(CC[3,6]CC)(H)3	108.9517	2.259	3	108.9517	5.102	3	108.7848	3.217	5	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3,5]P[3,5]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3,5]P[3,5]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.5333	0.274	3	109.5333	0.075	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CHHN)(CH3)2	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]2H)(CHHN)(CH3)2	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.7850	0.249	2	109.7850	0.062	2	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2N)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]2N)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	107.8613	2.228	3	107.8613	4.963	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2Si)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]2Si)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	107.8923	3.658	3	107.8923	13.377	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]Br)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]Br)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.3390	0.935	3	109.3390	0.875	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	108.9580	0.040	3	108.9580	0.002	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.7470	0.747	6	109.7470	0.558	6	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]N[3]O[3]C)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]N[3]O[3]C)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.0563	0.374	3	109.0563	0.140	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]O[3]P[3]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]O[3]P[3]H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.6587	0.643	6	109.6587	0.413	6	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]P[3,5]2H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]P[3,5]2H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.4477	0.493	3	109.4477	0.243	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]P[3]2H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]P[3]2H)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	109.6857	0.915	3	109.6857	0.838	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]Si[3]P[3]Si)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	C(C[3]Si[3]P[3]Si)(CH3)3	C(CC[3]CC)(H)3	C(CC[3]CC)(H)3	106.8963	1.417	3	106.8963	2.007	3	109.0735	2.025	41	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	C(CC[3x5,6,6]CC)(H)3	C(CC[3x5,6,6]CC)(H)3	C(C[3x5,6,6]P[5,5,6,6]2Se[5,5])(CH3)3	C(CC[3x5,6,6]CC)(H)3	C(CC[3x5,6,6]CC)(H)3	107.8413	0.920	3	107.8413	0.847	3	107.8413	0.847	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x5,6]P[3,5,5,6]C[4x5]P[5,6])(CH3)3	C(CC[3x5,6]CC)(H)3	C(CC[3x5,6]CC)(H)3	C(C[3x5,6]P[3,5,5,6]C[4x5]P[5,6])(CH3)3	C(CC[3x5,6]CC)(H)3	C(CC[3x5,6]CC)(H)3	107.2210	2.332	3	107.2210	5.440	3	107.2210	5.440	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]2O[6,6])(CH3)3	C(CC[3x6]CC)(H)3	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]2O[6,6])(CH3)3	C(CC[3x6]CC)(H)3	C(CC[3x6]CC)(H)3	108.4420	1.599	3	108.4420	2.557	3	108.9347	1.157	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x6]C[6,6]3)(CH3)3	C(CC[3x6]CC)(H)3	C(CC[3x6]CC)(H)3	C(C[3x6]C[6,6]3)(CH3)3	C(CC[3x6]CC)(H)3	C(CC[3x6]CC)(H)3	109.1810	0.781	6	109.1810	0.609	6	108.9347	1.157	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,3x5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,3x5,6]C[3x5,6,6]C[4,5,5,6]2)(CH3)3	C(CC[4,3x5,6]CC)(H)3	C(CC[4,3x5,6]CC)(H)3	C(C[4,3x5,6]C[3x5,6,6]C[4,5,5,6]2)(CH3)3	C(CC[4,3x5,6]CC)(H)3	C(CC[4,3x5,6]CC)(H)3	108.3242	1.094	6	108.3242	1.196	6	108.3242	1.196	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,3x5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,3x5]P[4,3x5]2Se[5,5])(CH3)3	C(CC[4,3x5]CC)(H)3	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,3x5]2Se[5,5])(CH3)3	C(CC[4,3x5]CC)(H)3	C(CC[4,3x5]CC)(H)3	107.9523	0.918	3	107.9523	0.842	3	108.4674	0.615	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,3x5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]Si[4,5])(CH3)3	C(CC[4,3x5]CC)(H)3	C(CC[4,3x5]CC)(H)3	C(C[4,3x5]P[4,5,5,6,6]P[4,3x5,6]Si[4,5])(CH3)3	C(CC[4,3x5]CC)(H)3	C(CC[4,3x5]CC)(H)3	108.7250	0.639	6	108.7250	0.408	6	108.4674	0.615	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,4,5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,4,5,5]P[4,5,5,6]2P[3,4,4])(CH3)3	C(CC[4,4,5,5]CC)(H)3	C(CC[4,4,5,5]CC)(H)3	C(C[4,4,5,5]P[4,5,5,6]2P[3,4,4])(CH3)3	C(CC[4,4,5,5]CC)(H)3	C(CC[4,4,5,5]CC)(H)3	109.6447	0.588	3	109.6447	0.345	3	109.6447	0.345	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,4,5]P[4,4,5]2P[4,5,6])(CH3)3	C(CC[4,4,5]CC)(H)3	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,4,5]2P[4,5,6])(CH3)3	C(CC[4,4,5]CC)(H)3	C(CC[4,4,5]CC)(H)3	109.1037	0.891	6	109.1037	0.795	6	109.1753	1.052	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,4,5]P[4,5,5,6]P[4,4,5]2)(CH3)3	C(CC[4,4,5]CC)(H)3	C(CC[4,4,5]CC)(H)3	C(C[4,4,5]P[4,5,5,6]P[4,4,5]2)(CH3)3	C(CC[4,4,5]CC)(H)3	C(CC[4,4,5]CC)(H)3	109.1896	1.064	30	109.1896	1.131	30	109.1753	1.052	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,4]P[4,4]P[4]2)(CH3)3	C(CC[4,4]CC)(H)3	C(CC[4,4]CC)(H)3	C(C[4,4]P[4,4]P[4]2)(CH3)3	C(CC[4,4]CC)(H)3	C(CC[4,4]CC)(H)3	109.0648	1.956	6	109.0648	3.827	6	109.0648	3.827	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,5,6,6]P[4,5,5,6,6]2Si[4,5])(CH3)3	C(CC[4,5,5,6,6]CC)(H)3	C(CC[4,5,5,6,6]CC)(H)3	C(C[4,5,5,6,6]P[4,5,5,6,6]2Si[4,5])(CH3)3	C(CC[4,5,5,6,6]CC)(H)3	C(CC[4,5,5,6,6]CC)(H)3	107.9983	1.327	6	107.9983	1.760	6	107.9983	1.760	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,5,6]P[4,5,5,6]P[3x5,6]P[4,4,5])(CH3)3	C(CC[4,5,5,6]CC)(H)3	C(CC[4,5,5,6]CC)(H)3	C(C[4,5,5,6]P[4,5,5,6]P[3x5,6]P[4,4,5])(CH3)3	C(CC[4,5,5,6]CC)(H)3	C(CC[4,5,5,6]CC)(H)3	108.5763	0.636	29	108.5763	0.405	29	108.5763	0.405	29	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,5]P[3,5,5]P[4,5,5]P[4])(CH3)3	C(CC[4,5,5]CC)(H)3	C(CC[4,5,5]CC)(H)3	C(C[4,5,5]P[3,5,5]P[4,5,5]P[4])(CH3)3	C(CC[4,5,5]CC)(H)3	C(CC[4,5,5]CC)(H)3	108.8847	0.734	3	108.8847	0.539	3	108.8847	0.539	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,6,6]P[3,4,5]P[4,3x6]P[5,6,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[3,4,5]P[4,3x6]P[5,6,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	108.4317	1.018	3	108.4317	1.035	3	108.6629	0.747	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,6,6]P[4,5,5,6]P[5,5,6,6]Se[4,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,5,6,6]Se[4,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	108.4336	1.085	5	108.4336	1.177	5	108.6629	0.747	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,6,6]P[4,5,5,6]P[5,6,6]Se[4,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	C(C[4,5,6,6]P[4,5,5,6]P[5,6,6]Se[4,6])(CH3)3	C(CC[4,5,6,6]CC)(H)3	C(CC[4,5,6,6]CC)(H)3	108.9695	0.624	6	108.9695	0.390	6	108.6629	0.747	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,6]P[4,4,5]P[4,5,6]P[5,6])(CH3)3	C(CC[4,5,6]CC)(H)3	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,4,5]P[4,5,6]P[5,6])(CH3)3	C(CC[4,5,6]CC)(H)3	C(CC[4,5,6]CC)(H)3	108.4752	1.434	5	108.4752	2.057	5	108.5555	0.966	11	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5,6]P[4,5,5,6,6]2P[5])(CH3)3	C(CC[4,5,6]CC)(H)3	C(CC[4,5,6]CC)(H)3	C(C[4,5,6]P[4,5,5,6,6]2P[5])(CH3)3	C(CC[4,5,6]CC)(H)3	C(CC[4,5,6]CC)(H)3	108.6225	0.525	6	108.6225	0.275	6	108.5555	0.966	11	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,5]C[4,5]C[5]O[4])(CH3)3	C(CC[4,5]CC)(H)3	C(CC[4,5]CC)(H)3	C(C[4,5]C[4,5]C[5]O[4])(CH3)3	C(CC[4,5]CC)(H)3	C(CC[4,5]CC)(H)3	107.7275	1.169	39	107.7275	1.366	39	107.7275	1.366	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]CC)(H)3	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]CC)(H)3	C(CC[4,6]CC)(H)3	109.1500	0.000	1	109.1500	0.000	1	108.6557	1.888	4	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,6]C[4,6]C[4]O[6])(CH3)3	C(CC[4,6]CC)(H)3	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6]C[4]O[6])(CH3)3	C(CC[4,6]CC)(H)3	C(CC[4,6]CC)(H)3	108.4910	1.634	3	108.4910	2.669	3	108.6557	1.888	4	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,5]C[4]S)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4,5]C[4]S)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.4587	0.807	3	108.4587	0.651	3	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.5652	0.368	5	109.5652	0.136	5	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2Fe)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2Fe)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	107.8685	0.463	6	107.8685	0.214	6	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7512	0.506	6	108.7512	0.256	6	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2O)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2O)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.7747	1.065	3	108.7747	1.135	3	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2Pd)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2Pd)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.4913	0.362	6	109.4913	0.131	6	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2Ru)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2Ru)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.3877	0.978	6	108.3877	0.956	6	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]2W)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]2W)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	107.8275	0.961	2	107.8275	0.923	2	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]P[4]Fe)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]Fe)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	107.9754	1.428	12	107.9754	2.040	12	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]P[4]H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.9254	0.846	9	108.9254	0.715	9	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4]P[4]W)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[4]P[4]W)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	107.7350	1.731	3	107.7350	2.995	3	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.8050	0.272	2	108.8050	0.074	2	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4,5,5]P[4]H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4,5,5]P[4]H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.4715	0.271	2	109.4715	0.073	2	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4]2H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4]2H)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.5897	1.353	12	108.5897	1.831	12	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4]2Sn)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4]2Sn)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	108.8663	0.912	3	108.8663	0.832	3	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]P[4]2Ti)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	C(C[4]P[4]2Ti)(CH3)3	C(CC[4]CC)(H)3	C(CC[4]CC)(H)3	109.0293	0.895	12	109.0293	0.800	12	108.6521	1.140	92	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	C(CC[4]C[5]C)(H)3	C(CC[4]C[5]C)(H)3	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	C(CC[4]C[5]C)(H)3	C(CC[4]C[5]C)(H)3	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4x5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	C(CC[4x5]CC)(H)3	C(CC[4x5]CC)(H)3	C(C[4x5]C[3x5,6]P[3x5,6]P[5,5])(CH3)3	C(CC[4x5]CC)(H)3	C(CC[4x5]CC)(H)3	106.3550	1.460	3	106.3550	2.132	3	106.3550	2.132	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	C(CC[5,3x6]CC)(H)3	C(CC[5,3x6]CC)(H)3	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	C(CC[5,3x6]CC)(H)3	C(CC[5,3x6]CC)(H)3	107.8597	1.586	3	107.8597	2.514	3	107.8597	2.514	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6,6]C[5,5,6,6]P[3,5,6,6]P[5,6])(CH3)3	C(CC[5,5,6,6]CC)(H)3	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]C[5,5,6,6]P[3,5,6,6]P[5,6])(CH3)3	C(CC[5,5,6,6]CC)(H)3	C(CC[5,5,6,6]CC)(H)3	107.9143	0.963	3	107.9143	0.928	3	107.9795	0.526	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	C(CC[5,5,6,6]CC)(H)3	C(CC[5,5,6,6]CC)(H)3	C(C[5,5,6,6]P[5,6,6]2Se[5,5])(CH3)3	C(CC[5,5,6,6]CC)(H)3	C(CC[5,5,6,6]CC)(H)3	108.0447	0.612	3	108.0447	0.375	3	107.9795	0.526	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	109.5703	0.640	6	109.5703	0.409	6	108.2992	2.218	21	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	107.4747	1.838	6	107.4747	3.380	6	108.2992	2.218	21	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[3x5]P[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	108.3333	0.648	6	108.3333	0.420	6	108.2992	2.218	21	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5,6]Si[5,5]P[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	C(C[5,5,6]Si[5,5]P[5,6]2)(CH3)3	C(CC[5,5,6]CC)(H)3	C(CC[5,5,6]CC)(H)3	107.3377	1.840	3	107.3377	3.384	3	108.2992	2.218	21	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	107.7076	2.460	18	107.7076	6.050	18	107.8738	3.548	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]2C[3x5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	107.8293	1.653	3	107.8293	2.731	3	107.8738	3.548	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	108.8413	0.578	3	108.8413	0.334	3	107.8738	3.548	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]O[3x5]C[5]2)(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]O[3x5]C[5]2)(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	107.3956	1.344	9	107.3956	1.806	9	107.8738	3.548	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,5]P[3,5,5]P[4,5]P[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	C(C[5,5]P[3,5,5]P[4,5]P[5])(CH3)3	C(CC[5,5]CC)(H)3	C(CC[5,5]CC)(H)3	108.6287	0.724	6	108.6287	0.524	6	107.8738	3.548	39	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	C(CC[5,6,6]CC)(H)3	C(CC[5,6,6]CC)(H)3	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	C(CC[5,6,6]CC)(H)3	C(CC[5,6,6]CC)(H)3	108.6360	0.983	6	108.6360	0.967	6	108.6360	0.967	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	107.0088	0.682	5	107.0088	0.465	5	108.1090	1.105	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]2H)(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]2H)(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	108.5487	0.868	3	108.5487	0.753	3	108.1090	1.105	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C(CC[5,6]CC)(H)3	C(CC[5,6]CC)(H)3	108.8060	0.539	6	108.8060	0.291	6	108.1090	1.105	14	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C(CC[5,6]C[5]C)(H)3	C(CC[5,6]C[5]C)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C(CC[5,6]C[5]C)(H)3	C(CC[5,6]C[5]C)(H)3	108.2285	0.094	2	108.2285	0.009	2	108.2285	0.009	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]B[5]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]B[5]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3210	0.517	3	108.3210	0.267	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3950	0.000	1	108.3950	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3x5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[3x5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2023	1.923	6	108.2023	3.699	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7691	1.371	18	108.7691	1.881	18	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5]Cl)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]Cl)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1773	1.430	3	109.1773	2.046	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.0390	0.000	1	110.0390	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0270	0.379	3	109.0270	0.144	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]O[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5]O[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9960	0.798	3	108.9960	0.636	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5a]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,5a]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5143	0.869	3	108.5143	0.755	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5337	0.633	15	108.5337	0.400	15	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5631	0.714	15	108.5631	0.509	15	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4971	0.784	29	108.4971	0.614	29	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Mn)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Mn)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.6067	0.653	12	108.6067	0.426	12	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.9548	0.910	6	106.9548	0.829	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Rh)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Rh)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8610	0.981	3	108.8610	0.963	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CC[5]HH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.8030	0.000	1	107.8030	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]C[5]Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]C[5]Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3286	0.473	11	108.3286	0.224	11	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2080	2.318	3	109.2080	5.371	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3550	0.000	1	108.3550	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.8730	1.795	3	107.8730	3.224	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.2010	0.000	1	110.2010	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.7820	0.068	2	109.7820	0.005	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]N)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]N)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.0945	0.398	6	108.0945	0.158	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5,6a]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1050	1.049	3	108.1050	1.100	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Al)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Al)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2055	1.851	120	108.2055	3.425	120	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ba)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ba)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.4342	2.043	18	107.4342	4.174	18	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cd)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Cd)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.4893	1.900	6	107.4893	3.609	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ce)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ce)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.6044	0.857	46	108.6044	0.734	46	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.4080	0.000	1	109.4080	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CC[6a]HH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.6760	0.000	1	108.6760	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.0841	1.694	151	108.0841	2.868	151	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9300	0.000	1	108.9300	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.3702	0.584	21	106.3702	0.341	21	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2007	1.824	38	108.2007	3.328	38	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Dy)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Dy)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.9111	1.916	45	107.9111	3.672	45	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9148	0.512	9	108.9148	0.262	9	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3709	1.529	745	108.3709	2.338	745	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ga)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ga)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.5042	2.146	6	107.5042	4.604	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5085	0.011	2	109.5085	0.000	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2552	0.673	5	108.2552	0.453	5	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4895	0.804	33	108.4895	0.646	33	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Hf)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Hf)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9360	0.907	56	108.9360	0.822	56	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ir)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ir)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.3353	1.781	6	108.3353	3.171	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2La)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2La)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8537	1.128	36	108.8537	1.273	36	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Li)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Li)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9813	1.284	6	108.9813	1.649	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Mn)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Mn)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.9344	1.702	79	107.9344	2.898	79	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.5351	0.430	8	106.5351	0.185	8	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Mo)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9759	1.293	102	108.9759	1.672	102	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ni)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ni)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4202	0.570	6	108.4202	0.325	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.5118	0.977	9	107.5118	0.955	9	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5060	2.207	3	108.5060	4.871	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Re)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Re)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.3490	0.153	3	109.3490	0.024	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Rh)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Rh)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.3212	0.962	37	109.3212	0.926	37	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.8328	0.868	8	106.8328	0.754	8	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.4085	1.811	194	108.4085	3.280	194	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Sm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Sm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.0284	1.477	64	108.0284	2.181	64	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Th)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1204	1.691	431	108.1204	2.858	431	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.3565	0.346	2	107.3565	0.120	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9457	0.351	3	108.9457	0.123	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9536	1.086	65	108.9536	1.179	65	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Tm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Tm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1794	1.281	21	108.1794	1.642	21	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2U)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2U)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.6635	1.816	145	108.6635	3.296	145	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2W)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2W)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.6455	1.402	12	109.6455	1.966	12	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.8975	0.223	2	106.8975	0.050	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1780	0.030	2	109.1780	0.001	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	106.2420	0.095	2	106.2420	0.009	2	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7996	0.990	171	108.7996	0.980	171	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CHOO)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CHOO)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	111.8540	0.000	1	111.8540	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Cr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0208	0.982	18	109.0208	0.964	18	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7150	1.171	36	108.7150	1.371	36	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1341	1.155	237	109.1341	1.335	237	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1464	0.392	8	109.1464	0.154	8	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]O[5])(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0563	0.570	3	109.0563	0.325	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]N[5]Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9325	1.086	18	108.9325	1.180	18	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8962	1.019	6	108.8962	1.039	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1920	0.000	1	109.1920	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.7537	0.175	4	110.7537	0.031	4	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5998	0.838	8	109.5998	0.703	8	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.8840	0.000	1	110.8840	0.000	1	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]N)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]N)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.8407	0.620	6	107.8407	0.384	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]O)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.5730	0.763	3	109.5730	0.582	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1193	2.037	3	108.1193	4.150	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Ce)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ce)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5103	2.657	12	108.5103	7.061	12	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Co)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0850	0.556	6	109.0850	0.309	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.0192	1.872	6	108.0192	3.504	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Pb)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Pb)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.2772	1.607	6	108.2772	2.582	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2239	2.486	9	109.2239	6.179	9	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Sc)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Sc)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.1415	1.232	6	108.1415	1.519	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Tm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.9883	1.286	93	107.9883	1.655	93	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2110	0.564	3	109.2110	0.318	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]Ga[4]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]Ga[4]C[5]2)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.8938	1.663	12	107.8938	2.766	12	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.7984	1.448	9	108.7984	2.097	9	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.7647	0.566	78	109.7647	0.321	78	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,5]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,5]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.3357	0.764	24	109.3357	0.583	24	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6,6]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,6,6]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2933	0.808	3	109.2933	0.652	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,6]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9107	0.404	3	108.9107	0.163	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,6]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0887	0.719	3	109.0887	0.517	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5,6]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5,6]S[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8550	1.231	3	108.8550	1.516	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.8386	0.931	27	108.8386	0.867	27	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]2Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]2Zr)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.7147	0.986	3	109.7147	0.972	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]O[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1985	0.656	25	109.1985	0.430	25	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]P[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Fe)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.2910	1.044	6	109.2910	1.091	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]N[5]P[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]N[5]P[5]Ru)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.6505	0.659	6	109.6505	0.434	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]2C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]O[5]2C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.7263	0.512	3	109.7263	0.262	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]O[5]2H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	110.0827	0.517	9	110.0827	0.267	9	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]P[5]C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]C)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.4560	0.649	6	109.4560	0.421	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]O[5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]O[5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.9710	1.179	3	108.9710	1.389	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[3,5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[3,5]P[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.1820	2.098	3	109.1820	4.400	3	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[5,5]C[5]H)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	107.5947	1.907	6	107.5947	3.636	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]P[5]2Pt)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]P[5]2Pt)(CH3)3	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.0625	0.626	6	109.0625	0.391	6	108.4963	2.323	3605	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5,6a]2H)(C[5]C[5]2Y)(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	109.0465	0.385	2	109.0465	0.149	2	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2Cr)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	109.9400	0.000	1	109.9400	0.000	1	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2Fe)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	110.1310	0.000	1	110.1310	0.000	1	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Mo)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2Mo)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.0995	0.350	2	108.0995	0.123	2	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Re)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2Re)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.6560	0.000	1	108.6560	0.000	1	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2Ru)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.4030	0.000	1	108.4030	0.000	1	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2W)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]2W)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.6490	0.000	1	108.6490	0.000	1	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]H)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]H)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.8663	0.516	4	108.8663	0.267	4	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]Sm)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	C(C[5]C[5]N[5]Sm)2(CH3)2	C(CC[5]2C)(H)3	C(CC[5]2C)(H)3	108.0813	0.716	3	108.0813	0.512	3	108.7362	0.532	16	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	108.7130	0.000	1	108.7130	0.000	1	108.5716	0.480	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	108.0680	0.804	3	108.0680	0.647	3	108.5716	0.480	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	108.0120	0.000	1	108.0120	0.000	1	108.5716	0.480	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(C[6]C[6]2Ti)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5]2Ti)(C[6]C[6]2Ti)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	107.7070	0.000	1	107.7070	0.000	1	108.5716	0.480	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]N[5]U)(C[6]C[6]2U)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	C(C[5]C[5]N[5]U)(C[6]C[6]2U)(CH3)2	C(CC[5]C[6]C)(H)3	C(CC[5]C[6]C)(H)3	109.0372	0.410	6	109.0372	0.168	6	108.5716	0.480	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(PC[6]2Ti)(CH3)2	C(CC[5]CP)(H)3	C(CC[5]CP)(H)3	C(C[5]C[5]2Ti)(PC[6]2Ti)(CH3)2	C(CC[5]CP)(H)3	C(CC[5]CP)(H)3	109.4615	1.474	2	109.4615	2.174	2	109.4615	2.174	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6,6]P[3x6]P[6,6]W)(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	C(C[6,6]P[3x6]P[6,6]W)(CH3)3	C(CC[6,6]CC)(H)3	C(CC[6,6]CC)(H)3	107.7373	0.698	6	107.7373	0.487	6	107.7373	0.487	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.5712	0.913	17	107.5712	0.833	17	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.4277	0.614	3	107.4277	0.377	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.6337	1.035	35	107.6337	1.072	35	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[5,6]C[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.3428	0.836	11	107.3428	0.699	11	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6,6a]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.7283	1.329	3	107.7283	1.766	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6,6a]C[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.2178	0.923	21	108.2178	0.852	21	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6,6a]S[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6,6a]S[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.7197	0.598	3	108.7197	0.357	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.0652	0.678	9	108.0652	0.460	9	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Cl)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Cl)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.5897	0.836	3	108.5897	0.699	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Cr)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Cr)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.9307	0.601	18	108.9307	0.361	18	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Fe)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Fe)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.6298	0.713	41	108.6298	0.509	41	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.4548	1.346	13	108.4548	1.813	13	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CC[6a]HS)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.5550	0.489	2	108.5550	0.239	2	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.4459	1.105	217	108.4459	1.221	217	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Mo)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Mo)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.5865	0.973	288	108.5865	0.947	288	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ni)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Ni)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.2860	0.953	6	108.2860	0.909	6	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2O)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2O)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.7445	1.513	6	107.7445	2.289	6	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2Ru)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]2Ru)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.5027	2.206	3	109.5027	4.866	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.9220	0.000	1	109.9220	0.000	1	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.0577	0.752	24	109.0577	0.565	24	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.5602	0.472	12	108.5602	0.222	12	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	110.2190	0.031	2	110.2190	0.001	2	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.1535	1.010	45	109.1535	1.020	45	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.9145	0.029	2	108.9145	0.001	2	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]Ge[6]C[6]Ru)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]Ge[6]C[6]Ru)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.1408	0.543	6	108.1408	0.295	6	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]N[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]N[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	108.9353	0.999	3	108.9353	0.998	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]O[6]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]O[6]2C)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.4107	0.665	3	109.4107	0.442	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]O[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]O[6]2H)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	109.8132	0.341	18	109.8132	0.116	18	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.7495	1.142	2	107.7495	1.304	2	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]Si[6]C[6]Si)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	C(C[6]Si[6]C[6]Si)(CH3)3	C(CC[6]CC)(H)3	C(CC[6]CC)(H)3	107.1750	1.873	3	107.1750	3.507	3	108.5231	1.126	820	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)2(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	C(C[6]C[6]2H)2(CH3)2	C(CC[6]2C)(H)3	C(CC[6]2C)(H)3	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaC3)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaC3)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	108.0105	0.589	26	108.0105	0.347	26	107.9986	0.374	70	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaCOO)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaCOO)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	108.2920	0.775	5	108.2920	0.600	5	107.9986	0.374	70	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaC[5]CP)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaC[5]CP)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	107.7313	0.360	6	107.7313	0.130	6	107.9986	0.374	70	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaClCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaClCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	108.4358	0.625	6	108.4358	0.390	6	107.9986	0.374	70	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaSbCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaSbCC)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	107.8950	0.615	27	107.8950	0.378	27	107.9986	0.374	70	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	C(CGa[3x6]CC)(H)3	C(CGa[3x6]CC)(H)3	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	C(CGa[3x6]CC)(H)3	C(CGa[3x6]CC)(H)3	108.7348	1.461	12	108.7348	2.134	12	108.7348	2.134	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4,4,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	C(CGa[4,4,6]CC)(H)3	C(Ga[4,4,6]N[4,4,6]2N[4,6,6])(CH3)3	C(CGa[4,4,6]CC)(H)3	C(CGa[4,4,6]CC)(H)3	109.2598	0.388	6	109.2598	0.150	6	109.2598	0.150	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4,6,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	C(CGa[4,6,6]CC)(H)3	C(Ga[4,6,6]N[4,4,6]N[4,6,6]2)(CH3)3	C(CGa[4,6,6]CC)(H)3	C(CGa[4,6,6]CC)(H)3	108.9082	0.685	6	108.9082	0.469	6	108.9082	0.469	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]N[4,5]C[4]H)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]N[4,5]C[4]H)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	109.2413	0.427	3	109.2413	0.182	3	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]N[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	108.1205	0.647	11	108.1205	0.418	11	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2Cl)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	108.9785	0.510	6	108.9785	0.261	6	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]N[4]2H)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]N[4]2H)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	108.6980	1.485	3	108.6980	2.205	3	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]O[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]O[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	107.9438	2.850	6	107.9438	8.121	6	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	C(Ga[4]P[4]2C)(CH3)3	C(CGa[4]CC)(H)3	C(CGa[4]CC)(H)3	108.6880	1.155	18	108.6880	1.333	18	108.5332	1.754	47	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	C(CGa[5,5]CC)(H)3	C(CGa[5,5]CC)(H)3	C(Ga[5,5]P[5,5]S[5]2)(CH3)3	C(CGa[5,5]CC)(H)3	C(CGa[5,5]CC)(H)3	109.9082	0.378	6	109.9082	0.143	6	109.9082	0.143	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[5]N[5]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	C(Ga[5]N[5]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	107.7845	0.763	6	107.7845	0.582	6	108.0015	1.575	23	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[5]O[5,6]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	C(Ga[5]O[5,6]O[5]C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	108.2344	1.634	12	108.2344	2.671	12	108.0015	1.575	23	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[5]O[5]2C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	C(Ga[5]O[5]2C)(CH3)3	C(CGa[5]CC)(H)3	C(CGa[5]CC)(H)3	107.7028	0.494	5	107.7028	0.244	5	108.0015	1.575	23	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6]C[6]N[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	C(Ga[6]C[6]N[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	108.2680	1.529	6	108.2680	2.338	6	108.2816	0.657	27	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6]C[6]S[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	C(Ga[6]C[6]S[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	108.5530	0.343	6	108.5530	0.118	6	108.2816	0.657	27	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6]N[6]2Cl)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	C(Ga[6]N[6]2Cl)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	108.5930	0.694	3	108.5930	0.482	3	108.2816	0.657	27	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	C(CGa[6]CC)(H)3	108.0749	0.486	12	108.0749	0.236	12	108.2816	0.657	27	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeC3)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeC3)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	109.6900	0.449	6	109.6900	0.202	6	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeC[6a]3)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeC[6a]3)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	109.5487	0.667	3	109.5487	0.445	3	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeC[6a]CF)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeC[6a]CF)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	109.4043	1.053	3	109.4043	1.109	3	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeCl3)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeCl3)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	110.7845	0.151	2	110.7845	0.023	2	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeClTe2)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeClTe2)(CCHH)(CH3)2	C(CGeCC)(H)3	C(CGeCC)(H)3	110.3470	0.000	1	110.3470	0.000	1	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeGeCC)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeGeCC)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	109.3940	0.138	3	109.3940	0.019	3	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeMnFN)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeMnFN)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	109.7017	0.712	3	109.7017	0.508	3	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeMnOO)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeMnOO)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	110.1177	0.460	6	110.1177	0.211	6	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeO3)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeO3)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	110.4438	1.547	6	110.4438	2.394	6	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeRu2N)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeRu2N)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	108.7910	1.638	3	108.7910	2.682	3	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeSnCC)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	C(GeSnCC)(CH3)3	C(CGeCC)(H)3	C(CGeCC)(H)3	108.0128	0.875	17	108.0128	0.765	17	109.2483	1.608	53	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]C[4]2C)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]C[4]2C)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	108.5657	0.612	6	108.5657	0.374	6	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]C[6a]C[4]O[4])(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]C[6a]C[4]O[4])(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	109.9807	0.244	3	109.9807	0.059	3	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]N[4]2Au)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Au)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	109.7093	1.308	3	109.7093	1.711	3	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]N[4]2Ir)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ir)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	108.9524	0.869	5	108.9524	0.755	5	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]N[4]2Mn)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Mn)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	109.9561	0.763	9	109.9561	0.582	9	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]N[4]2Ru)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]N[4]2Ru)(CH3)3	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	109.5392	0.782	9	109.5392	0.612	9	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	C(CGe[4]CC)(H)3	C(CGe[4]CC)(H)3	111.1470	0.000	1	111.1470	0.000	1	109.4953	0.861	36	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[6]C[6a]C[6]O[6])(CH3)3	C(CGe[6]CC)(H)3	C(CGe[6]CC)(H)3	C(Ge[6]C[6a]C[6]O[6])(CH3)3	C(CGe[6]CC)(H)3	C(CGe[6]CC)(H)3	109.3803	0.304	3	109.3803	0.093	3	109.3803	0.093	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(In[6]N[6]2Br)(CH3)3	C(CIn[6]CC)(H)3	C(CIn[6]CC)(H)3	C(In[6]N[6]2Br)(CH3)3	C(CIn[6]CC)(H)3	C(CIn[6]CC)(H)3	109.0390	3.485	3	109.0390	12.148	3	109.0390	12.148	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAl2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAl2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0444	1.260	12	109.0444	1.586	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAl2H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAl2H)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9250	0.469	3	109.9250	0.220	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7642	0.614	51	109.7642	0.378	51	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlCrP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlCrP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.1953	0.522	3	109.1953	0.273	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NAlHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NAlHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.9272	0.595	9	110.9272	0.354	9	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBBH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NBBH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3242	1.157	6	109.3242	1.339	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NBCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0483	1.753	3	110.0483	3.074	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NBHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1688	1.047	6	110.1688	1.096	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NBiCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NBiCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0578	0.740	20	109.0578	0.547	20	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.4040	1.326	6	110.4040	1.758	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.8539	1.125	105	110.8539	1.265	105	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCWW)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCWW)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0760	0.863	3	110.0760	0.744	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3x3,3x5,12x6]CH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]CH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0633	1.087	3	110.0633	1.182	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]HH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	111.5772	1.617	6	111.5772	2.616	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[3x3,3x5,12x6]ReH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[3x3,3x5,12x6]ReH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.8172	1.194	12	110.8172	1.426	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]CeO)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]CeO)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6265	1.955	6	109.6265	3.822	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]HH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]HH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	111.3610	1.186	3	111.3610	1.408	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6]NdO)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6]NdO)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.3016	0.462	8	109.3016	0.213	8	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	112.0210	0.103	2	112.0210	0.011	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCdHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCdHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	111.5130	0.000	1	111.5130	0.000	1	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0445	0.828	45	109.0445	0.685	45	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.3276	0.734	13	109.3276	0.538	13	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.5154	9.179	6	107.5154	84.245	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.1935	0.315	2	109.1935	0.099	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCoHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.2120	0.076	2	110.2120	0.006	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.3902	0.889	13	108.3902	0.790	13	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCrSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.2147	0.843	6	109.2147	0.711	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8751	1.271	42	108.8751	1.615	42	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.4409	0.991	19	109.4409	0.982	19	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1146	1.101	24	110.1146	1.213	24	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.5390	0.000	1	109.5390	0.000	1	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuHH)(CHHN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.6840	0.000	1	109.6840	0.000	1	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NCuSiSn)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.6936	1.037	12	108.6936	1.076	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFe3)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFe3)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7947	0.460	3	109.7947	0.212	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8693	0.796	37	108.8693	0.634	37	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.4343	1.165	3	108.4343	1.358	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NFeHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3283	0.839	3	110.3283	0.704	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NGaHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NGaHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.8758	0.518	6	110.8758	0.268	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHHN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NHHN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	111.6680	0.697	3	111.6680	0.486	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NHHW)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NHHW)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.3737	1.157	3	110.3737	1.338	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIr3)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NIr3)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2167	0.621	3	110.2167	0.386	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NIrHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NIrHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0903	1.607	3	110.0903	2.584	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2B)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi2B)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.6492	0.615	6	107.6492	0.378	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.4042	2.240	6	108.4042	5.018	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi2P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.2800	0.883	3	108.2800	0.780	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2S)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi2S)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7055	0.506	6	108.7055	0.256	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6368	0.950	6	109.6368	0.902	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLiHP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLiHP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6287	0.578	9	109.6287	0.334	9	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgBC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgBC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8040	1.553	6	108.8040	2.413	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMgHP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMgHP)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.0755	0.424	6	110.0755	0.180	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMnCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMnCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0581	0.849	12	109.0581	0.720	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NMoCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NMoCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7737	1.185	3	109.7737	1.405	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.9467	0.745	75	108.9467	0.555	75	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.4452	1.158	99	108.4452	1.341	99	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7338	0.830	12	109.7338	0.688	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.5175	0.779	2	110.5175	0.606	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.0755	0.418	2	110.0755	0.175	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.5000	3.246	3	108.5000	10.538	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NNiHN)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9733	0.231	6	109.9733	0.053	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.8312	0.449	5	108.8312	0.202	5	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]CrLi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]CrLi)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7725	0.651	6	108.7725	0.423	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NP[4]Li2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NP[4]Li2)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7871	0.358	12	108.7871	0.128	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0186	0.637	29	109.0186	0.406	29	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.9444	0.880	15	109.9444	0.774	15	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.5340	0.592	4	110.5340	0.351	4	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NPdHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.2852	0.852	12	110.2852	0.725	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NPtHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	110.0460	0.000	1	110.0460	0.000	1	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtHO)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NPtHO)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.3418	0.572	4	109.3418	0.327	4	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NRhCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.2325	0.762	2	109.2325	0.580	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NRhHH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.5190	0.000	1	109.5190	0.000	1	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuCH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NRuCH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.0635	0.095	2	108.0635	0.009	2	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NRuCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.8306	1.191	9	109.8306	1.418	9	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.6252	0.551	10	108.6252	0.303	10	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSbCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8081	0.675	12	108.8081	0.456	12	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSbCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSbCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.5603	1.497	3	109.5603	2.242	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSiZnH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSiZnH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.6770	0.719	3	109.6770	0.516	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSn2P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSn2P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.8160	1.369	3	108.8160	1.873	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSn2Te)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSn2Te)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.1407	0.332	3	110.1407	0.110	3	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	108.5280	0.958	8	108.5280	0.917	8	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NSnCH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.7545	0.416	6	109.7545	0.173	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZn2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZn2C)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	107.9797	0.967	6	107.9797	0.935	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnCC)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.7107	1.077	6	108.7107	1.161	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnCH)(CCHH)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.0883	0.967	4	109.0883	0.934	4	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NZnHH)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	110.5692	1.268	6	110.5692	1.607	6	109.4185	2.064	952	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	C(CCNP)(H)3	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	C(CCNP)(H)3	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	C(CN[3,4]CC)(H)3	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]2B[3,3])(CH3)3	C(CN[3,4]CC)(H)3	C(CN[3,4]CC)(H)3	109.4640	1.419	3	109.4640	2.013	3	109.5695	1.480	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	C(CN[3,4]CC)(H)3	C(CN[3,4]CC)(H)3	C(N[3,4]Ga[3,3,4]B[3,3]Ga[4])(CH3)3	C(CN[3,4]CC)(H)3	C(CN[3,4]CC)(H)3	109.6750	1.286	3	109.6750	1.653	3	109.5695	1.480	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	C(CN[3x6]CC)(H)3	C(CN[3x6]CC)(H)3	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	C(CN[3x6]CC)(H)3	C(CN[3x6]CC)(H)3	109.7113	1.000	9	109.7113	1.000	9	109.7113	1.000	9	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	C(CN[4,5]CC)(H)3	C(CN[4,5]CC)(H)3	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	C(CN[4,5]CC)(H)3	C(CN[4,5]CC)(H)3	109.9747	1.675	42	109.9747	2.805	42	109.9852	2.680	45	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4,5]Si[4,5]2C[5])(CH3)3	C(CN[4,5]CC)(H)3	C(CN[4,5]CC)(H)3	C(N[4,5]Si[4,5]2C[5])(CH3)3	C(CN[4,5]CC)(H)3	C(CN[4,5]CC)(H)3	110.1313	1.200	3	110.1313	1.440	3	109.9852	2.680	45	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4]2H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]B[4]2H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.9180	0.606	3	109.9180	0.367	3	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4]Rh)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]B[4]C[4]Rh)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.1797	0.880	39	110.1797	0.774	39	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.3157	0.432	3	110.3157	0.187	3	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.2387	0.803	6	110.2387	0.644	6	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Cr)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Cr)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.6430	0.574	3	109.6430	0.329	3	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Hf)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Hf)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.2007	1.125	6	110.2007	1.265	6	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Li)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Li)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.5219	0.583	15	109.5219	0.340	15	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Mg)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Mg)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	109.4459	0.539	11	109.4459	0.290	11	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Sb)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Sb)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.4083	0.590	11	110.4083	0.349	11	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Ti)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Ti)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.5563	0.524	6	110.5563	0.275	6	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2V)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2V)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.3690	0.371	3	110.3690	0.138	3	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2Zr)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	C(N[4]P[4]2Zr)(CH3)3	C(CN[4]CC)(H)3	C(CN[4]CC)(H)3	110.2310	0.489	6	110.2310	0.239	6	110.0565	0.614	112	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5,6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	C(CN[5,5,6]CC)(H)3	C(CN[5,5,6]CC)(H)3	C(N[5,5,6]Ge[5,5,6]C[5,5,6]Ge[5])(CH3)3	C(CN[5,5,6]CC)(H)3	C(CN[5,5,6]CC)(H)3	109.2083	0.598	3	109.2083	0.358	3	109.2083	0.358	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,5]B[5,5]C[5]2)(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	C(N[5,5]B[5,5]C[5]2)(CH3)3	C(CN[5,5]CC)(H)3	C(CN[5,5]CC)(H)3	108.8853	1.124	6	108.8853	1.263	6	108.8853	1.263	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6,6,6a,6a]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	C(CN[5,6,6,6a,6a]CC)(H)3	C(CN[5,6,6,6a,6a]CC)(H)3	C(N[5,6,6,6a,6a]B[3,5,6,6,6a,6a]2H)(CH3)3	C(CN[5,6,6,6a,6a]CC)(H)3	C(CN[5,6,6,6a,6a]CC)(H)3	109.7750	0.792	3	109.7750	0.627	3	109.7750	0.627	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]B[5]C[5]Ru)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ru)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.5900	0.899	9	109.5900	0.808	9	109.6721	1.071	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]B[5]C[5]Ti)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]B[5]C[5]Ti)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.7508	1.290	6	109.7508	1.664	6	109.6721	1.071	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]C[5]2H)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	C(N[5]C[5]2H)(CH3)3	C(CN[5]CC)(H)3	C(CN[5]CC)(H)3	109.7607	1.284	3	109.7607	1.648	3	109.6721	1.071	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.8607	1.043	6	109.8607	1.089	6	109.6092	2.381	106	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	110.4118	1.745	6	110.4118	3.046	6	109.6092	2.381	106	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2Mo)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]2Mo)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.5462	1.702	73	109.5462	2.895	73	109.6092	2.381	106	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2W)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	C(N[6]C[6]2W)(CH3)3	C(CN[6]CC)(H)3	C(CN[6]CC)(H)3	109.5271	0.901	21	109.5271	0.812	21	109.6092	2.381	106	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCe3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OCe3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	111.1125	0.006	2	111.1125	0.000	2	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OCu3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OCu3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.0722	0.612	6	110.0722	0.374	6	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLi2Pb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLi2Pb)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.8357	1.126	3	109.8357	1.268	3	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLi2Zn)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLi2Zn)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.4227	0.423	9	109.4227	0.179	9	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLi3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLi3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	108.7946	1.891	26	108.7946	3.577	26	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLiZn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLiZn2)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.3468	0.709	9	110.3468	0.503	9	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	O-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OZn3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OZn3)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	110.9527	0.577	3	110.9527	0.333	3	109.5105	2.338	58	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:B-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(BH3)(CH3)2	C(CBCP)(H)3	C(CBCP)(H)3	C(PC[6a]3)(BH3)(CH3)2	C(CBCP)(H)3	C(CBCP)(H)3	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAgCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAgCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3501	1.911	21	108.3501	3.652	21	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAl2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAl2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4378	0.393	12	108.4378	0.155	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAlCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAlCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4508	0.804	6	108.4508	0.646	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAlNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAlNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0347	1.326	3	109.0347	1.758	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAu2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAu2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7195	1.184	6	108.7195	1.403	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PAuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PAuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.1958	1.583	118	108.1958	2.507	118	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3993	0.977	12	108.3993	0.954	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBBH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBBH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1497	1.419	3	109.1497	2.014	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3934	0.831	57	109.3934	0.690	57	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1582	1.115	41	109.1582	1.244	41	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0404	0.740	47	109.0404	0.548	47	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6963	0.684	18	109.6963	0.468	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7943	0.720	6	108.7943	0.519	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[5]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[5]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2760	1.181	6	109.2760	1.396	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0864	1.434	18	108.0864	2.057	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[6]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[6]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6628	1.301	6	108.6628	1.691	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[6]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[6]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9788	1.278	23	108.9788	1.634	23	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PB[6]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PB[6]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.6345	1.463	6	107.6345	2.139	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PBrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PBrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4241	1.958	9	108.4241	3.836	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCF)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCF)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6004	1.684	9	108.6004	2.837	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8359	2.054	320	108.8359	4.218	320	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCI)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCI)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4630	0.588	6	109.4630	0.346	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2169	1.625	150	108.2169	2.641	150	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6368	1.305	74	108.6368	1.702	74	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8415	1.515	6	109.8415	2.294	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5133	1.268	64	108.5133	1.607	64	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCCW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4950	1.555	24	108.4950	2.417	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.9782	1.337	6	109.9782	1.788	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCHN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCHN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5327	1.172	12	109.5327	1.374	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCHO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.0142	0.998	22	110.0142	0.995	22	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCII)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCII)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.5648	0.992	18	110.5648	0.984	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCIN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCIN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0453	0.726	12	109.0453	0.527	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8068	1.068	12	108.8068	1.141	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0721	0.755	18	109.0721	0.570	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCNS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7601	1.320	23	108.7601	1.743	23	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCNW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCNW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2462	1.709	11	108.2462	2.919	11	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0833	1.376	32	109.0833	1.893	32	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCPW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCPW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0144	1.228	30	109.0144	1.508	30	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.9033	1.396	9	107.9033	1.949	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5743	0.898	6	108.5743	0.807	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x3,4,3x5,14x6]CuS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3x3,4,3x5,14x6]CuS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5662	2.061	6	109.5662	4.248	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[3x6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[3x6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.2070	1.655	12	107.2070	2.741	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[4]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[4]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5832	0.698	6	108.5832	0.487	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[4]GaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[4]GaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1072	0.665	6	109.1072	0.442	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2B)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.2010	1.185	3	110.2010	1.403	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1473	3.274	3	109.1473	10.721	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2Fe)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2Fe)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6372	0.605	6	109.6372	0.366	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.4277	0.651	3	110.4277	0.423	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2Zr)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2Zr)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2363	0.407	3	109.2363	0.165	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]AuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]AuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7023	0.941	6	108.7023	0.885	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]BB)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]BB)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2248	0.468	6	109.2248	0.219	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.9209	1.347	30	107.9209	1.814	30	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.1705	2.502	6	110.1705	6.261	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4453	1.179	24	108.4453	1.391	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8318	1.009	5	108.8318	1.019	5	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6330	1.116	24	108.6330	1.245	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4408	1.483	105	108.4408	2.200	105	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]HO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]HO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.5523	0.317	3	110.5523	0.100	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]Ni2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]Ni2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4830	1.422	8	109.4830	2.021	8	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7889	1.611	145	108.7889	2.597	145	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.2233	0.890	12	110.2233	0.793	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8230	0.761	6	108.8230	0.580	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5518	0.738	6	108.5518	0.545	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9975	1.077	27	108.9975	1.160	27	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8937	1.156	30	108.8937	1.337	30	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.0240	0.351	6	110.0240	0.123	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8709	1.041	18	108.8709	1.084	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9838	1.120	6	108.9838	1.253	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.3109	0.510	9	110.3109	0.260	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]IrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]IrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2990	0.892	6	108.2990	0.795	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]OO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]OO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6350	0.795	3	109.6350	0.632	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0712	0.829	36	109.0712	0.688	36	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4935	0.613	18	109.4935	0.376	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9067	0.838	35	108.9067	0.703	35	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5a]PtO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5a]PtO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.7673	0.544	3	109.7673	0.296	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5x3,5x5,20x6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5x3,5x5,20x6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0323	3.382	18	108.0323	11.439	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.8159	1.435	37	107.8159	2.060	37	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8647	1.155	6	109.8647	1.333	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1490	1.313	3	109.1490	1.725	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]HfC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]HfC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0600	1.118	6	108.0600	1.250	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]OO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]OO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5375	0.736	6	109.5375	0.542	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0438	1.129	12	108.0438	1.276	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6]ZrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6]ZrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2632	1.470	6	108.2632	2.160	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Al)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Al)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6267	2.909	3	108.6267	8.461	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Co)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Co)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3167	2.125	3	109.3167	4.514	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.1537	1.200	9	110.1537	1.440	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ni)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Ni)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1974	1.343	9	109.1974	1.804	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6478	1.171	6	109.6478	1.372	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Pd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Pd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7574	1.014	9	108.7574	1.027	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Ru)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2Ru)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6270	0.228	3	109.6270	0.052	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2W)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]2W)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2670	1.044	3	108.2670	1.090	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AgC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]AgC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7775	0.844	30	108.7775	0.712	30	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]AuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5986	1.101	203	108.5986	1.212	203	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3287	0.714	18	109.3287	0.510	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3383	0.484	9	109.3383	0.234	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]BO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]BO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3767	0.681	3	109.3767	0.463	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0998	1.511	24	108.0998	2.283	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6678	0.706	24	109.6678	0.498	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5573	0.852	6	108.5573	0.725	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8705	1.127	92	108.8705	1.270	92	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C[5]Ni)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]C[5]Ni)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8630	0.689	6	108.8630	0.475	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C[5]Pd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]C[5]Pd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0173	1.222	3	109.0173	1.492	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]C[6]O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]C[6]O)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3990	1.269	3	109.3990	1.610	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ClO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]ClO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.2927	0.725	3	110.2927	0.526	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ClPd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]ClPd)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5483	1.849	3	109.5483	3.418	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	109.7150	0.000	1	109.7150	0.000	1	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CoC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CoC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1375	1.075	21	109.1375	1.156	21	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3085	0.900	6	109.3085	0.809	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4269	1.059	18	108.4269	1.122	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]IrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]IrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3165	0.541	6	108.3165	0.293	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]IrO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]IrO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3422	0.754	6	109.3422	0.568	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.9713	0.814	12	109.9713	0.662	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]NiC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]NiC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9115	0.888	23	108.9115	0.788	23	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]NiO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]NiO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.2015	0.365	6	110.2015	0.134	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]OS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]OS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8172	0.452	6	109.8172	0.204	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	108.6410	0.000	1	108.6410	0.000	1	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PbC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PbC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8305	0.877	12	108.8305	0.769	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6054	1.207	160	108.6054	1.456	160	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PdO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.7376	1.318	106	109.7376	1.738	106	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6564	1.730	105	108.6564	2.993	105	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PtC)(CPtHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PtC)(CPtHH)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	108.6680	0.000	1	108.6680	0.000	1	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PtN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PtN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4013	1.068	3	109.4013	1.141	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PtO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]PtO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6777	0.683	3	109.6777	0.466	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ReC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]ReC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8672	0.682	6	108.8672	0.464	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]RhC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9918	1.014	51	108.9918	1.028	51	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RhN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]RhN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5625	0.626	6	109.5625	0.392	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2832	1.055	18	108.2832	1.113	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]RuO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]RuO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.5970	0.671	9	109.5970	0.450	9	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]SS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]SS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8457	0.432	3	109.8457	0.186	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]Se2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]Se2)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.6247	0.263	3	109.6247	0.069	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]SeS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]SeS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.0053	0.636	3	110.0053	0.405	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]SnC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]SnC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0817	2.002	30	109.0817	4.010	30	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ZnC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[6a]ZnC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8633	0.728	6	108.8633	0.531	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCl2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCl2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.5150	1.317	3	110.5150	1.733	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCl2Ga)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCl2Ga)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	111.7253	2.259	3	111.7253	5.104	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PClBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.9677	0.951	3	110.9677	0.904	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClPdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PClPdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8962	0.963	6	108.8962	0.928	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PClRuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PClRuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9740	1.019	3	108.9740	1.038	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCoCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7070	0.945	395	108.7070	0.893	395	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCoCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1010	1.075	101	109.1010	1.155	101	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCoCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9763	1.461	24	108.9763	2.134	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9857	1.292	24	108.9857	1.669	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCrCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2676	1.995	12	108.2676	3.980	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3167	1.766	298	108.3167	3.119	298	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFe2H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PFe2H)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4195	1.069	6	109.4195	1.143	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PFeCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3405	1.976	327	108.3405	3.906	327	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PFeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2003	1.111	17	109.2003	1.235	17	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PFeCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2713	1.173	6	108.2713	1.376	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PFeHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.0938	1.412	6	110.0938	1.994	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PHOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PHOO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.4527	1.261	3	110.4527	1.589	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PHPW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PHPW)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.1710	0.570	3	110.1710	0.325	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PIrCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3133	1.460	1375	108.3133	2.131	1375	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PIrCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9437	1.247	24	108.9437	1.554	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PIrCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PIrCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9670	1.295	392	108.9670	1.678	392	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PLi2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PLi2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.9977	1.262	6	107.9977	1.592	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PLiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PLiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6447	1.409	18	108.6447	1.987	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PLiCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PLiCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4267	0.778	6	108.4267	0.606	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PMnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.1483	1.368	59	108.1483	1.870	59	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PMoCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2165	1.529	288	108.2165	2.339	288	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PMoCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4586	1.662	12	108.4586	2.763	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PMoCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PMoCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3843	1.647	12	108.3843	2.714	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PNNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.8921	0.896	35	109.8921	0.802	35	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]2Se)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]2Se)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2017	0.788	3	109.2017	0.621	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1741	1.084	35	109.1741	1.176	35	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]CrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]CrC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9498	0.512	6	108.9498	0.262	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]CuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7865	0.883	12	108.7865	0.780	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5]RuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3102	1.310	18	108.3102	1.716	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5a]CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7507	1.188	60	108.7507	1.410	60	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[5a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[5a]PdC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4903	0.692	18	108.4903	0.479	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PN[6]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PN[6]CN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4490	0.777	6	108.4490	0.604	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PNiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5134	1.101	811	108.5134	1.212	811	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PNiCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1786	1.165	288	109.1786	1.358	288	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PNiCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2501	0.871	282	109.2501	0.759	282	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POs2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(POs2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2215	1.182	24	108.2215	1.397	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POsCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(POsCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.1956	1.471	98	108.1956	2.164	98	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POsCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(POsCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.7722	1.736	6	107.7722	3.014	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(POsPtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(POsPtC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4860	3.404	6	109.4860	11.589	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPd2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPd2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6502	0.530	12	108.6502	0.281	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5450	1.394	1591	108.5450	1.942	1591	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6305	0.997	6	108.6305	0.994	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6456	1.019	39	108.6456	1.039	39	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4742	0.934	107	109.4742	0.872	107	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPt2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPt2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2170	1.448	113	109.2170	2.097	113	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtBC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.1227	1.744	6	108.1227	3.043	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.8679	1.965	1340	107.8679	3.863	1340	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2821	1.184	12	109.2821	1.401	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8218	0.692	6	108.8218	0.479	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.4586	0.949	42	109.4586	0.900	42	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0861	0.887	29	109.0861	0.786	29	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPtRuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPtRuC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3188	1.947	18	108.3188	3.791	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRe2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRe2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.5650	2.493	36	107.5650	6.216	36	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PReCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.9023	1.746	227	107.9023	3.048	227	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PReCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3792	1.871	12	108.3792	3.502	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PReCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PReCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8254	1.518	34	108.8254	2.306	34	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRhCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.3931	1.425	724	108.3931	2.030	724	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRhCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0580	0.934	46	109.0580	0.872	46	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRhCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRhCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3791	1.373	122	109.3791	1.886	122	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRu2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRu2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.0074	1.874	12	108.0074	3.513	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRuCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2323	1.368	721	108.2323	1.871	721	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRuCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5295	1.085	12	108.5295	1.177	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRuCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.8836	1.388	48	108.8836	1.926	48	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRuCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5437	1.189	24	108.5437	1.414	24	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRuHH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1323	2.396	6	109.1323	5.742	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSe2C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2559	1.357	69	109.2559	1.841	69	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSeCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4961	1.397	38	108.4961	1.952	38	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSeCH)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	110.3250	0.439	6	110.3250	0.192	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.6373	1.247	18	108.6373	1.556	18	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.8776	1.144	8	107.8776	1.308	8	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7670	1.177	23	108.7670	1.384	23	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PTeCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0286	1.190	12	109.0286	1.416	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PTiCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7237	1.094	12	108.7237	1.197	12	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiPP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PTiPP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.9723	1.108	3	108.9723	1.228	3	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PZnCC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5570	1.444	54	108.5570	2.085	54	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZrCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PZrCP)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4588	1.930	6	108.4588	3.725	6	108.5498	2.302	13844	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:Ge-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(GeBHH)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	C(PC[6a]3)(GeBHH)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	110.8540	0.000	1	110.8540	0.000	1	108.4585	11.477	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:Ge-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]3)(GeCl2W)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	C(PC[6a]3)(GeCl2W)(CH3)2	C(CGeCP)(H)3	C(CGeCP)(H)3	106.0630	0.000	1	106.0630	0.000	1	108.4585	11.477	2	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2Cr)2(CH3)2	C(CCPP)(H)3	C(CCPP)(H)3	C(PC[6a]2Cr)2(CH3)2	C(CCPP)(H)3	C(CCPP)(H)3	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P-4:S-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	C(CCPS)(H)3	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	C(CCPS)(H)3	110.1270	0.000	1	110.1270	0.000	1	110.1270	0.000	1	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]2C)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]2C)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	109.8763	0.866	6	109.8763	0.750	6	109.6920	2.059	24	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]2Fe)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]2Fe)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	109.6900	0.498	3	109.6900	0.248	3	109.6920	2.059	24	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]O[3]Cr)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]Cr)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	109.1005	2.447	6	109.1005	5.987	6	109.6920	2.059	24	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]O[3]W)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]O[3]W)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	110.0342	1.227	6	110.0342	1.505	6	109.6920	2.059	24	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[3]C[3]P[3]C)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	C(P[3]C[3]P[3]C)(CH3)3	C(CP[3]CC)(H)3	C(CP[3]CC)(H)3	109.8237	1.140	3	109.8237	1.299	3	109.6920	2.059	24	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]B[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]B[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	108.1556	1.550	5	108.1556	2.403	5	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4,6a]2B)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4,6a]2B)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.3557	0.443	6	110.3557	0.196	6	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4,6a]P[4]Pd)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4,6a]P[4]Pd)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.5473	0.796	6	109.5473	0.633	6	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	108.5567	0.684	6	108.5567	0.467	6	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]2W)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]2W)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	109.6377	1.115	6	109.6377	1.242	6	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]N[4]C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]N[4]C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	108.5863	2.821	12	108.5863	7.957	12	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]C[4]P[4]C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]C[4]P[4]C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.4357	0.969	3	110.4357	0.939	3	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]Ga[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]Ga[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	108.5943	0.888	6	108.5943	0.788	6	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]Ga[4]2H)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]Ga[4]2H)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.0067	1.025	4	110.0067	1.051	4	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]P[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]P[4]2C)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.0103	1.443	3	110.0103	2.083	3	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]P[4]2H)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]P[4]2H)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.9130	0.336	3	110.9130	0.113	3	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[4]S[4]2S)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	C(P[4]S[4]2S)(CH3)3	C(CP[4]CC)(H)3	C(CP[4]CC)(H)3	110.5265	0.265	2	110.5265	0.070	2	109.3406	2.755	62	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5,5]C[5,5,6]2S)(CH3)3	C(CP[5,5]CC)(H)3	C(CP[5,5]CC)(H)3	C(P[5,5]C[5,5,6]2S)(CH3)3	C(CP[5,5]CC)(H)3	C(CP[5,5]CC)(H)3	108.9613	1.116	3	108.9613	1.245	3	108.9613	1.245	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]B[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.5317	0.966	33	108.5317	0.934	33	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,5a]C[5,6a]O)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.3580	1.675	3	110.3580	2.805	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6]C[5]Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6]C[5]Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.0737	1.098	3	110.0737	1.206	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.6848	1.580	6	108.6848	2.498	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.8390	0.660	11	109.8390	0.436	11	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.1247	1.306	59	109.1247	1.707	59	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]Cu)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Cu)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.0931	1.064	24	110.0931	1.133	24	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]O)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.0480	1.299	6	110.0480	1.687	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.7870	0.270	3	109.7870	0.073	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]C[5]Rh)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]C[5]Rh)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.1267	0.911	6	110.1267	0.829	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5,6a]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.2869	1.030	21	109.2869	1.062	21	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.4187	0.760	6	109.4187	0.578	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.2125	1.098	42	109.2125	1.206	42	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Fe)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2Fe)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.7892	0.530	6	109.7892	0.281	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2Pd)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.8063	2.586	6	109.8063	6.688	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Rh)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2Rh)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.8735	0.757	18	108.8735	0.572	18	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]2Ru)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]2Ru)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	107.9204	0.903	5	107.9204	0.816	5	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.3665	1.298	24	108.3665	1.684	24	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]N[5]W)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]N[5]W)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.5477	2.135	3	109.5477	4.557	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.8339	0.795	18	109.8339	0.632	18	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[5]P[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[5]P[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.0527	0.996	3	110.0527	0.993	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]C[6a]P[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]C[6a]P[5]2)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.1717	0.557	3	110.1717	0.311	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Ga[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]Ga[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.3043	0.966	6	109.3043	0.934	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]N[5,6]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.9023	1.138	6	108.9023	1.294	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5]O[5]B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.9477	0.278	3	109.9477	0.077	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]N[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]N[5]O[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.3347	1.341	12	109.3347	1.798	12	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]O[5]2B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]O[5]2B)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.1037	0.310	3	109.1037	0.096	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]O[5]2W)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]O[5]2W)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.5833	3.508	3	110.5833	12.303	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]P[5]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]P[5]2C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	109.0894	1.660	5	109.0894	2.756	5	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]S[5]2S)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]S[5]2S)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.1747	0.586	3	110.1747	0.343	3	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Se[5]C[5]Se)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]Se[5]C[5]Se)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	110.2513	0.371	6	110.2513	0.138	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[5]Si[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	C(P[5]Si[5]C[5]C)(CH3)3	C(CP[5]CC)(H)3	C(CP[5]CC)(H)3	108.6800	0.815	6	108.6800	0.665	6	109.2718	1.567	362	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]B[5,6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]B[5,6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	107.9813	1.310	6	107.9813	1.716	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]B[5a,6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]B[5a,6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.1203	1.433	6	109.1203	2.054	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]B[6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]B[6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	107.9207	1.076	6	107.9207	1.158	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6,6a]C[6]Pt)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6,6a]C[6]Pt)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	108.3007	1.348	3	108.3007	1.816	3	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.2757	0.839	6	109.2757	0.704	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2Ir)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]2Ir)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	110.0075	1.128	15	110.0075	1.273	15	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2Pt)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]2Pt)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.3590	0.341	6	109.3590	0.117	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2Rh)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]2Rh)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.0343	0.506	3	109.0343	0.256	3	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2W)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]2W)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.6513	0.667	3	109.6513	0.445	3	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]N[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]N[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	108.4090	1.213	6	108.4090	1.472	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	108.7926	1.872	41	108.7926	3.504	41	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6]S)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]S)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.4565	0.383	6	109.4565	0.147	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6]Se)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]C[6]P[6]Se)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	109.5382	0.616	6	109.5382	0.380	6	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(P[6]N[6]O[6]O)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	C(P[6]N[6]O[6]O)(CH3)3	C(CP[6]CC)(H)3	C(CP[6]CC)(H)3	110.0393	1.116	3	110.0393	1.245	3	109.0349	2.145	116	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	108.9046	0.599	12	108.9046	0.358	12	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCOO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCOO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9802	1.056	6	110.9802	1.115	6	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]2O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]2O)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	109.1310	0.738	3	109.1310	0.544	3	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]NO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]NO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9885	0.757	6	110.9885	0.572	6	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	110.0170	0.000	1	110.0170	0.000	1	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.2270	0.567	9	111.2270	0.322	9	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]RhO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SC[6a]RhO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.3180	1.540	12	111.3180	2.371	12	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SCu2C)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SCu2C)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.2430	0.985	9	111.2430	0.970	9	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SIrCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SIrCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9167	1.288	30	110.9167	1.659	30	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNOO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SNOO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.0374	1.025	100	111.0374	1.050	100	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[3]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[3]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9903	0.376	9	110.9903	0.141	9	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[4]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[4]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.4243	0.863	3	110.4243	0.745	3	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[5]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	110.9160	0.739	26	110.9160	0.546	26	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SN[6]OO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.0311	0.453	9	111.0311	0.205	9	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNiOO)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SNiOO)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	111.6825	0.385	2	111.6825	0.149	2	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRhCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SRhCO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.1321	1.045	20	111.1321	1.091	20	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRhNO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	C(SRhNO)(CH3)3	C(CCCS)(H)3	C(CCCS)(H)3	111.0795	2.065	17	111.0795	4.264	17	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRuOO)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	C(SRuOO)(CHHN)(CH3)2	C(CCCS)(H)3	C(CCCS)(H)3	109.5570	0.000	1	109.5570	0.000	1	110.9184	1.381	275	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[5]C[5,6a]N[5]O)(CH3)3	C(CS[5]CC)(H)3	C(CS[5]CC)(H)3	C(S[5]C[5,6a]N[5]O)(CH3)3	C(CS[5]CC)(H)3	C(CS[5]CC)(H)3	111.1647	0.884	3	111.1647	0.782	3	111.1647	0.782	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	S[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(S[6]O[6]2C)(CH3)3	C(CS[6]CC)(H)3	C(CS[6]CC)(H)3	C(S[6]O[6]2C)(CH3)3	C(CS[6]CC)(H)3	C(CS[6]CC)(H)3	108.5190	0.960	6	108.5190	0.921	6	108.5190	0.921	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Se-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SeCu2C)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	C(SeCu2C)(CH3)3	C(CSeCC)(H)3	C(CSeCC)(H)3	110.9393	2.502	12	110.9393	6.260	12	110.9393	6.260	12	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiAlCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiAlCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9802	0.922	36	107.9802	0.850	36	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiBr2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiBr2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	110.1023	0.785	3	110.1023	0.616	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.4671	1.073	168	108.4671	1.151	168	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	107.4420	0.000	1	107.4420	0.000	1	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.8448	2.472	27	107.8448	6.109	27	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3420	0.365	2	108.3420	0.133	2	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.7644	1.206	2001	108.7644	1.454	2001	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCP)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCP)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.2789	1.406	44	107.2789	1.978	44	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCS)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCS)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8327	0.545	15	108.8327	0.297	15	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCNO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCNO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7198	0.671	6	107.7198	0.450	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCOO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCOO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.2527	0.811	99	108.2527	0.658	99	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[3,5]C[6a]H)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[3,5]C[6a]H)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.8058	0.689	6	107.8058	0.474	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.4304	0.515	15	108.4304	0.265	15	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[3x3,4,3x5,14x6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.0243	1.481	3	108.0243	2.194	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5,5,6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[5,5,6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.5675	1.010	6	108.5675	1.021	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.7011	0.691	78	108.7011	0.478	78	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5]C[6]C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[5]C[6]C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.6042	0.654	6	108.6042	0.428	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[5a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8668	0.619	74	108.8668	0.383	74	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[5x3,5x5,20x6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[5x3,5x5,20x6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3153	1.719	3	108.3153	2.955	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6]CO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6]CO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7228	0.821	6	107.7228	0.675	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.5763	0.767	69	108.5763	0.589	69	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2C[5])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3884	0.661	15	108.3884	0.436	15	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2F)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2F)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.1980	0.362	3	109.1980	0.131	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2In)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2In)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.9067	0.713	9	108.9067	0.509	9	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2N[4])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2N[4])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.7367	0.487	3	108.7367	0.237	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2O)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.7951	0.838	341	108.7951	0.702	341	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2P)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2P)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.5625	0.824	15	108.5625	0.679	15	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2P[4])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2P[4])(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.6450	0.767	15	108.6450	0.589	15	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.5127	0.709	3	108.5127	0.503	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.4804	0.874	18	108.4804	0.764	18	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]AsC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]AsC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9215	0.754	23	107.9215	0.568	23	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.4622	0.892	21	108.4622	0.796	21	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]CO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.6003	0.720	6	108.6003	0.519	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]CP)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9052	1.006	17	107.9052	1.012	17	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiC[6a]OO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.1120	0.490	6	109.1120	0.240	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCl2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCl2Si)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.4520	0.651	3	109.4520	0.423	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiClSiC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiClSiC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.0175	1.337	6	108.0175	1.788	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiFeSiC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiFeSiC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.7807	0.737	6	108.7807	0.543	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGeCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7734	1.002	81	107.7734	1.005	81	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[3,3,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[3,3,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9798	0.719	12	107.9798	0.517	12	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[3,4,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[3,4,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.1856	0.683	11	108.1856	0.466	11	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[3,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[3,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7157	1.388	36	107.7157	1.927	36	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[3,6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.7851	2.164	50	107.7851	4.684	50	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.3457	1.834	150	107.3457	3.362	150	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.2382	0.992	23	108.2382	0.985	23	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiGe[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiGe[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3137	0.746	6	108.3137	0.556	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiIr2C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiIr2C)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.0112	0.563	6	108.0112	0.317	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiIrCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiIrCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.8848	1.075	18	107.8848	1.156	18	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiIrCO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiIrCO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9242	1.202	6	107.9242	1.444	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiN[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9127	0.728	6	107.9127	0.530	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiN[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.1873	0.228	3	109.1873	0.052	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiN[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.4153	0.762	3	107.4153	0.581	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[5]OO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiN[5]OO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8007	1.323	3	108.8007	1.751	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiN[5a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.1468	1.221	9	108.1468	1.490	9	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiO3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiO3)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.2520	0.482	24	109.2520	0.232	24	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiP[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiP[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.0658	1.105	9	107.0658	1.221	9	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiRhCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiRhCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.1238	0.786	6	108.1238	0.617	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSiCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.5670	1.005	388	107.5670	1.011	388	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSiFO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSiFO)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8528	0.315	6	108.8528	0.099	6	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSiII)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSiII)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.2510	0.633	3	109.2510	0.400	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[3,3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.2849	1.085	63	108.2849	1.178	63	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[3]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.8329	1.215	125	107.8329	1.476	125	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[3a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[3a]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	106.7832	0.732	18	106.7832	0.536	18	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[4,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[4,4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.0961	0.872	24	108.0961	0.760	24	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[4,5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[4,5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.4952	1.130	11	107.4952	1.276	11	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[4]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9679	0.883	166	107.9679	0.780	166	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[5]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.2095	0.791	53	108.2095	0.625	53	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSi[6]CC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.6532	0.895	43	107.6532	0.802	43	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSnCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiSnCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.1554	0.991	36	108.1554	0.983	36	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiTeCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiTeCC)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	109.0673	0.226	3	109.0673	0.051	3	108.4014	1.528	4579	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3,4,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	C(CSi[3,4,4]CC)(H)3	C(CSi[3,4,4]CC)(H)3	C(Si[3,4,4]Si[3,4,5,5]2Si[3x4,5])(CH3)3	C(CSi[3,4,4]CC)(H)3	C(CSi[3,4,4]CC)(H)3	109.1867	0.667	3	109.1867	0.445	3	109.1867	0.445	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3,4,5,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	C(CSi[3,4,5,5]CC)(H)3	C(CSi[3,4,5,5]CC)(H)3	C(Si[3,4,5,5]Si[3,4,5,5]Si[4,4,5,5]Si[3,4,4])(CH3)3	C(CSi[3,4,5,5]CC)(H)3	C(CSi[3,4,5,5]CC)(H)3	109.4247	1.536	6	109.4247	2.360	6	109.4247	2.360	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3]C[3]2C)(CH3)3	C(CSi[3]CC)(H)3	C(CSi[3]CC)(H)3	C(Si[3]C[3]2C)(CH3)3	C(CSi[3]CC)(H)3	C(CSi[3]CC)(H)3	108.4207	1.569	6	108.4207	2.463	6	108.5188	1.943	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	C(CSi[3]CC)(H)3	C(Si[3]Si[3,5]C[6a]C[3])(CH3)3	C(CSi[3]CC)(H)3	C(CSi[3]CC)(H)3	108.5678	1.369	12	108.5678	1.875	12	108.5188	1.943	18	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3x4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	C(CSi[3x4,5]CC)(H)3	C(CSi[3x4,5]CC)(H)3	C(Si[3x4,5]Si[4,4,5,5]2Si[3,4,4])(CH3)3	C(CSi[3x4,5]CC)(H)3	C(CSi[3x4,5]CC)(H)3	109.5173	0.779	3	109.5173	0.606	3	109.5173	0.606	3	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4,4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	C(CSi[4,4]CC)(H)3	C(CSi[4,4]CC)(H)3	C(Si[4,4]Ge[3,4,4]2C)(CH3)3	C(CSi[4,4]CC)(H)3	C(CSi[4,4]CC)(H)3	107.9963	0.727	6	107.9963	0.529	6	107.9963	0.529	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]C[4,6]Si[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	107.4139	1.802	12	107.4139	3.248	12	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]C[6a]N[4]2)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]C[6a]N[4]2)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	108.6417	1.253	3	108.6417	1.569	3	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]N[4,6]C[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]N[4,6]C[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	108.8357	1.903	3	108.8357	3.621	3	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]O[4]2N)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]O[4]2N)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	107.4963	1.047	3	107.4963	1.096	3	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]Si[4]2C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]Si[4]2C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	107.7778	0.634	6	107.7778	0.402	6	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4]Si[4]C[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	C(Si[4]Si[4]C[4]C)(CH3)3	C(CSi[4]CC)(H)3	C(CSi[4]CC)(H)3	107.5850	1.317	5	107.5850	1.736	5	107.7650	2.092	32	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[4x4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	C(CSi[4x4]CC)(H)3	C(CSi[4x4]CC)(H)3	C(Si[4x4]Si[4,4]Si[4x4]2)(CH3)3	C(CSi[4x4]CC)(H)3	C(CSi[4x4]CC)(H)3	109.2698	1.040	6	109.2698	1.081	6	109.2698	1.081	6	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,6a]2C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	109.1233	0.290	3	109.1233	0.084	3	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,6a]2C[6a])(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]2C[6a])(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	108.6374	0.721	18	108.6374	0.519	18	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,6a]C[5]O)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[5]O)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	109.4753	0.420	6	109.4753	0.177	6	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5,6a]C[6a]C[5])(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]C[5,6a]C[6a]C[5])(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	109.1143	0.297	6	109.1143	0.088	6	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]C[5]O[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]C[5]O[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	108.3689	0.963	30	108.3689	0.928	30	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]N[5,5]N[5,6]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]N[5,5]N[5,6]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	108.4196	0.624	5	108.4196	0.389	5	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]N[5]O[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]N[5]O[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	107.9575	0.390	6	107.9575	0.152	6	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]Si[3,5]Si[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]Si[3,5]Si[5]C)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	108.1765	0.477	11	108.1765	0.228	11	108.5322	0.651	85	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]C[6,6a]C[6a]O[6])(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]C[6,6a]C[6a]O[6])(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	109.1480	0.592	3	109.1480	0.350	3	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]C[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]C[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	106.8237	1.005	6	106.8237	1.011	6	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]N[3,6]O[6]C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]N[3,6]O[6]C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	108.3027	0.805	6	108.3027	0.649	6	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]O[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]O[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	108.3392	1.322	60	108.3392	1.749	60	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]O[6]2O)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]O[6]2O)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	109.4957	0.250	17	109.4957	0.063	17	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]Si[3,6]Si[6]C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]Si[3,6]Si[6]C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	108.3030	1.047	12	108.3030	1.096	12	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[6]Si[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	C(Si[6]Si[6]2C)(CH3)3	C(CSi[6]CC)(H)3	C(CSi[6]CC)(H)3	107.9987	0.442	11	107.9987	0.195	11	108.4139	1.459	115	108.6331	2.275	30926	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:Br-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CBrHH)(CHHO)(CH3)2	C(CC3)(Br)(H)2	C(CC3)(OP)(H)2	C(CBrHH)(CHHO)(CH3)2	C(CC3)(Br)(H)2	C(CC3)(OP)(H)2	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	110.5878	4.825	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:Cl-1:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CClHH)2(CHHO)2	C(CC3)(Cl)(H)2	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	C(CC3)(Cl)(H)2	C(CC3)(OH)(H)2	109.9815	1.996	4	109.9815	3.982	4	109.9815	3.982	4	110.5878	4.825	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(CC3)(CC)(H)2	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	C(CC3)(CC)(H)2	C(CC3)(H)3	109.3140	0.000	1	109.3140	0.000	1	110.0483	0.238	7	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC3)(CN)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC3)(CN)(H)2	C(CC3)(H)3	110.1707	0.400	6	110.1707	0.160	6	110.0483	0.238	7	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(CC3)(NC)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(CC3)(NC)(H)2	C(CC3)(H)3	109.0454	2.053	30	109.0454	4.213	30	109.3960	2.729	131	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NC)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(CC3)(NC)(H)2	C(CC3)(H)3	109.5028	1.518	98	109.5028	2.304	98	109.3960	2.729	131	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(CC3)(NC)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(CC3)(NC)(H)2	C(CC3)(H)3	109.4120	1.476	3	109.4120	2.178	3	109.3960	2.729	131	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrHH)(CHHO)(CH3)2	C(CC3)(OP)(H)2	C(CC3)(H)3	C(CBrHH)(CHHO)(CH3)2	C(CC3)(OP)(H)2	C(CC3)(H)3	108.0125	0.593	2	108.0125	0.352	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CCCH)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	107.6625	0.400	2	107.6625	0.160	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)2	C(CC3)(OSi)(H)2	C(CC3)(H)3	C(CCHO)(CHHO)(CH3)2	C(CC3)(OSi)(H)2	C(CC3)(H)3	109.6825	0.730	2	109.6825	0.534	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]2H)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CC[6a]2H)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	106.6240	3.108	2	106.6240	9.662	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	C(CC[6a]CH)(CC[6a]HO)(CHHO)(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	107.7570	0.854	2	107.7570	0.730	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	108.7486	1.427	8	108.7486	2.035	8	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(OC)(H)2	C(CC3)(H)3	109.0921	1.869	12	109.0921	3.494	12	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(OFe)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(OFe)(H)2	C(CC3)(H)3	109.4757	2.176	6	109.4757	4.733	6	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(OP)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(OP)(H)2	C(CC3)(H)3	108.8217	2.116	20	108.8217	4.479	20	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(OPd)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(OPd)(H)2	C(CC3)(H)3	109.5342	1.050	6	109.5342	1.103	6	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(CC3)(OS)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(CC3)(OS)(H)2	C(CC3)(H)3	108.8508	2.285	6	108.8508	5.223	6	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHP)2(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	C(CHHO)(CHHP)2(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	108.2850	0.000	1	108.2850	0.000	1	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHS)2(CH3)	C(CC3)(OS)(H)2	C(CC3)(H)3	C(CHHO)(CHHS)2(CH3)	C(CC3)(OS)(H)2	C(CC3)(H)3	101.9900	0.000	1	101.9900	0.000	1	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(H)3	109.2319	1.363	38	109.2319	1.859	38	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(H)3	109.2215	1.106	12	109.2215	1.224	12	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OP)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(CC3)(OP)(H)2	C(CC3)(H)3	109.1855	2.246	17	109.1855	5.043	17	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OS)(H)2	C(CC3)(H)3	C(CHHO)2(CH3)2	C(CC3)(OS)(H)2	C(CC3)(H)3	108.7165	2.368	2	108.7165	5.608	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OC)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(CC3)(OC)(H)2	C(CC3)(H)3	111.3435	0.876	2	111.3435	0.768	2	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(CC3)(OH)(H)2	C(CC3)(H)3	109.5503	1.251	3	109.5503	1.564	3	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OS)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(CC3)(OS)(H)2	C(CC3)(H)3	109.4117	1.857	10	109.4117	3.449	10	109.0452	3.265	154	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)3	C(CC3)(SFe)(H)2	C(CC3)(H)3	C(CHHS)(CH3)3	C(CC3)(SFe)(H)2	C(CC3)(H)3	109.5735	2.128	2	109.5735	4.527	2	109.5735	4.527	2	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(OC)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(OC)(H)2	C(CCCN)(H)3	110.9870	1.151	2	110.9870	1.325	2	111.0776	1.920	16	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)2(NH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	C(CHHO)(CH3)2(NH3)	C(CCCN)(OH)(H)2	C(CCCN)(H)3	111.0906	1.453	14	111.0906	2.112	14	111.0776	1.920	16	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(OH)(H)2	C(CC[3]CC)(H)3	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(OH)(H)2	C(CC[3]CC)(H)3	107.0200	0.417	2	107.0200	0.174	2	107.0200	0.174	2	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CC[5]CC)(CN)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CC[5]CC)(CN)(H)2	C(CC[5]CC)(H)3	108.0480	1.684	2	108.0480	2.837	2	108.9527	2.508	4	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(CN)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(CN)(H)2	C(CC[5]CC)(H)3	109.8575	1.189	2	109.8575	1.413	2	108.9527	2.508	4	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:S-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	C(CC[5]CC)(SC[6a])(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	C(CC[5]CC)(SC[6a])(H)2	C(CC[5]CC)(H)3	108.2345	2.343	2	108.2345	5.488	2	108.2345	5.488	2	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(OC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(OC)(H)2	C(CC[6]CC)(H)3	105.5530	0.000	1	105.5530	0.000	1	108.3366	4.151	5	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C(CC[6]CC)(OC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CHHO)(CH3)2	C(CC[6]CC)(OC)(H)2	C(CC[6]CC)(H)3	109.0325	1.518	4	109.0325	2.306	4	108.3366	4.151	5	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(OSn)(H)2	C(CCCN)(H)3	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(OSn)(H)2	C(CCCN)(H)3	109.7537	2.163	6	109.7537	4.678	6	109.7537	4.678	6	109.2920	3.132	329	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(CH3)2	C(CC3)(CN)(H)2	C(CC3)(CN)(H)2	C(CCHH)2(CH3)2	C(CC3)(CN)(H)2	C(CC3)(CN)(H)2	105.1040	0.157	2	105.1040	0.025	2	107.2713	14.104	3	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CC)(H)2	C(CC3)(CC)(H)2	111.6060	0.000	1	111.6060	0.000	1	107.2713	14.104	3	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CC)(H)2	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CC)(H)2	C(CC3)(OC)(H)2	108.6582	2.039	6	108.6582	4.156	6	108.6582	4.156	6	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	108.8018	1.619	25	108.8018	2.620	25	109.0423	2.855	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)3(CH3)	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	C(CHHN)3(CH3)	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	109.5433	2.882	3	109.5433	8.305	3	109.0423	2.855	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)4	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	C(CHHN)4	C(CC3)(NC)(H)2	C(CC3)(NC)(H)2	109.6060	1.498	8	109.6060	2.245	8	109.0423	2.855	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)3	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	109.0703	2.900	6	109.0703	8.412	6	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)3	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	108.5803	2.836	4	108.5803	8.044	4	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)3	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.1006	2.174	5	109.1006	4.728	5	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	110.1105	1.033	2	110.1105	1.067	2	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.1620	0.373	4	109.1620	0.139	4	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	110.0650	0.000	1	110.0650	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CClHH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CClHH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	108.7380	0.000	1	108.7380	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	110.0502	0.497	9	110.0502	0.247	9	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	110.2270	0.000	1	110.2270	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	C(CHHO)2(CH3)2	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	110.0320	0.000	1	110.0320	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.5315	0.384	2	109.5315	0.147	2	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	C(CC3)(OH)(H)2	C(CC3)(OP)(H)2	107.7240	0.000	1	107.7240	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CH3)2	C(CC3)(OP)(H)2	C(CC3)(OP)(H)2	C(CHHO)2(CH3)2	C(CC3)(OP)(H)2	C(CC3)(OP)(H)2	110.8330	0.441	4	110.8330	0.194	4	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)2(CHHS)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CHHO)2(CHHS)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.8980	0.000	1	109.8980	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	108.1095	2.543	4	108.1095	6.465	4	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CHHO)3(CH3)	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.3980	1.549	3	109.3980	2.398	3	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(CH3)	C(CC3)(OS)(H)2	C(CC3)(OS)(H)2	C(CHHO)3(CH3)	C(CC3)(OS)(H)2	C(CC3)(OS)(H)2	109.7711	1.873	8	109.7711	3.507	8	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OC)(H)2	107.9166	3.094	5	107.9166	9.575	5	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OH)(H)2	111.0930	0.680	4	111.0930	0.462	4	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	C(CHHO)4	C(CC3)(OC)(H)2	C(CC3)(OS)(H)2	109.0243	3.405	6	109.0243	11.595	6	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CHHO)4	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	108.7164	1.708	7	108.7164	2.916	7	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(ON)(H)2	C(CC3)(ON)(H)2	C(CHHO)4	C(CC3)(ON)(H)2	C(CC3)(ON)(H)2	110.2580	3.275	2	110.2580	10.728	2	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OS)(H)2	C(CC3)(OS)(H)2	C(CHHO)4	C(CC3)(OS)(H)2	C(CC3)(OS)(H)2	109.6849	2.576	15	109.6849	6.637	15	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OSi)(H)2	C(CC3)(OS)(H)2	C(CHHO)4	C(CC3)(OSi)(H)2	C(CC3)(OS)(H)2	109.4250	1.303	3	109.4250	1.697	3	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CN[6]HH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	C(CN[6]HH)2(CHHO)2	C(CC3)(OH)(H)2	C(CC3)(OH)(H)2	109.4410	0.000	1	109.4410	0.000	1	109.4207	4.236	100	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHO)2(CHHS)2	C(CC3)(OH)(H)2	C(CC3)(SC)(H)2	C(CHHO)2(CHHS)2	C(CC3)(OH)(H)2	C(CC3)(SC)(H)2	108.3310	3.186	4	108.3310	10.150	4	108.3310	10.150	4	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:S-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C(CHHO)2(CHHS)2	C(CC3)(SC)(H)2	C(CC3)(SC)(H)2	C(CHHO)2(CHHS)2	C(CC3)(SC)(H)2	C(CC3)(SC)(H)2	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)3(NH3)	C(CCCN)(NN)(H)2	C(CCCN)(NN)(H)2	C(CHHN)3(NH3)	C(CCCN)(NN)(H)2	C(CCCN)(NN)(H)2	111.1207	2.277	12	111.1207	5.185	12	111.1207	5.185	12	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCCH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	109.8617	1.981	3	109.8617	3.923	3	110.4946	0.914	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NCHH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NCHH)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	109.9260	1.256	3	109.9260	1.579	3	110.4946	0.914	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C-4:C-4:C-4:N-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)3(NH3)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(CHHO)3(NH3)	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	110.6148	0.796	30	110.6148	0.633	30	110.4946	0.914	36	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	N-4:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NFeCH)(CHHO)3	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	C(CCCN)(OH)(H)2	C(CCCN)(OH)(H)2	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	109.5995	4.063	199	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CC)(NS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CC)(NS)(H)	C(CC3)(H)3	109.1093	1.729	3	109.1093	2.990	3	108.9997	1.987	9	108.9839	2.207	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CN)(NC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CN)(NC)(H)	C(CC3)(H)3	108.9448	1.404	6	108.9448	1.972	6	108.9997	1.987	9	108.9839	2.207	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CHHO)(CH3)2	C(CC3)(CC)(OC)(H)	C(CC3)(H)3	C(CCHO)(CHHO)(CH3)2	C(CC3)(CC)(OC)(H)	C(CC3)(H)3	109.5315	2.599	2	109.5315	6.753	2	109.5315	6.753	2	108.9839	2.207	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:O-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CHOO)(CH3)2	C(CC[5]CC)(OC)2(H)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CHOO)(CH3)2	C(CC[5]CC)(OC)2(H)	C(CC[5]CC)(H)3	108.3655	1.572	2	108.3655	2.471	2	108.3655	2.471	2	108.9839	2.207	13	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CCHO)(CHHO)(CH3)2	C(CC3)(CC)(OC)(H)	C(CC3)(OSi)(H)2	C(CCHO)(CHHO)(CH3)2	C(CC3)(CC)(OC)(H)	C(CC3)(OSi)(H)2	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:2:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-2:C-2:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)(CC)2(OC)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)(CC)2(OC)	C(CC3)(H)3	108.9020	0.210	3	108.9020	0.044	3	108.9020	0.044	3	108.9020	0.044	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5a]HH)(OC[6a])(CC3)(H)	C(CC3)(H)3	109.4738	1.428	6	109.4738	2.038	6	109.4738	2.038	6	109.7020	2.128	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:2:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:Se-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CSeCH)(CH3)3	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(CC3)(H)3	C(CSeCH)(CH3)3	C(CN[5a]HH)(SeC[6a])(CC3)(H)	C(CC3)(H)3	110.1583	1.717	3	110.1583	2.949	3	110.1583	2.949	3	109.7020	2.128	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CC3)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	107.6085	5.380	2	107.6085	28.948	2	109.7650	12.352	9	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	C(CBrCH)(CCHH)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	110.8030	2.929	4	110.8030	8.580	4	109.7650	12.352	9	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CH3)3	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	C(CBrCH)(CH3)3	C(CC3)(CCO)(Br)(H)	C(CC3)(H)3	109.8187	3.905	3	109.8187	15.252	3	109.7650	12.352	9	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CC3)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CC3)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	108.5565	0.667	2	108.5565	0.445	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	108.7990	2.572	2	108.7990	6.618	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	109.0194	1.426	8	109.0194	2.034	8	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(CCC)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(CCC)(H)2	C(CC3)(H)3	109.8350	2.032	3	109.8350	4.131	3	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.8412	1.954	6	109.8412	3.819	6	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(CNO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(CNO)(H)2	C(CC3)(H)3	109.7079	1.876	15	109.7079	3.520	15	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(COO)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(COO)(H)2	C(CC3)(H)3	109.5844	1.840	30	109.5844	3.384	30	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(COW)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(COW)(H)2	C(CC3)(H)3	109.3500	1.883	3	109.3500	3.546	3	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	108.2480	1.935	2	108.2480	3.743	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	C(CC3)(CCH)(H)2	C(CC3)(H)3	110.2710	0.000	1	110.2710	0.000	1	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHS)(CH3)2	C(CC3)(CNO)(H)2	C(CC3)(H)3	C(CCHH)(CHHS)(CH3)2	C(CC3)(CNO)(H)2	C(CC3)(H)3	109.6520	1.444	2	109.6520	2.085	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.5850	3.644	2	109.5850	13.282	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CC3)(COO)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CC3)(COO)(H)2	C(CC3)(H)3	109.6802	1.402	32	109.6802	1.965	32	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(CC3)(CCH)(H)2	C(CC3)(H)3	108.7605	2.704	4	108.7605	7.310	4	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HH)(CCHH)(CH3)2	C(CC3)(COO)(H)2	C(CC3)(H)3	C(CC[6a]HH)(CCHH)(CH3)2	C(CC3)(COO)(H)2	C(CC3)(H)3	108.7375	0.534	2	108.7375	0.285	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCo2C)(CCHH)(CH3)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	C(CCo2C)(CCHH)(CH3)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	108.8805	2.873	6	108.8805	8.255	6	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CFeCH)(CCHH)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	C(CFeCH)(CCHH)(CH3)2	C(CC3)(CCO)(H)2	C(CC3)(H)3	109.8195	2.439	2	109.8195	5.948	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[5a]HH)(CCHH)(CH3)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	C(CN[5a]HH)(CCHH)(CH3)2	C(CC3)(CCC)(H)2	C(CC3)(H)3	109.5322	1.623	6	109.5322	2.635	6	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CCHH)(CH3)2	C(CC3)(CCN)(H)2	C(CC3)(H)3	C(CPdHH)(CCHH)(CH3)2	C(CC3)(CCN)(H)2	C(CC3)(H)3	108.9120	3.053	2	108.9120	9.323	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPdHH)(CCHH)(CH3)2	C(CC3)(CNO)(H)2	C(CC3)(H)3	C(CPdHH)(CCHH)(CH3)2	C(CC3)(CNO)(H)2	C(CC3)(H)3	109.7355	2.521	2	109.7355	6.355	2	109.4815	3.050	132	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(H)3	108.4305	3.837	2	108.4305	14.726	2	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(CC3)(NCC)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(CC3)(NCC)(H)2	C(CC3)(H)3	109.5683	2.828	12	109.5683	7.998	12	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(CC3)(NCH)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(CC3)(NCH)(H)2	C(CC3)(H)3	109.7245	1.757	6	109.7245	3.088	6	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(H)3	109.2120	3.230	2	109.2120	10.433	2	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(H)3	109.7605	2.390	6	109.7605	5.712	6	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHS)2(CH3)	C(CC3)(NHH)(H)2	C(CC3)(H)3	C(CHHN)(CHHS)2(CH3)	C(CC3)(NHH)(H)2	C(CC3)(H)3	108.2070	0.000	1	108.2070	0.000	1	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(H)3	109.0285	1.779	20	109.0285	3.163	20	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCV)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(CC3)(NCV)(H)2	C(CC3)(H)3	109.1033	3.147	4	109.1033	9.905	4	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(CC3)(NCC)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(CC3)(NCC)(H)2	C(CC3)(H)3	110.0020	0.000	1	110.0020	0.000	1	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(CC3)(NCH)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(CC3)(NCH)(H)2	C(CC3)(H)3	106.7414	1.597	15	106.7414	2.550	15	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(H)3	109.6267	3.981	6	109.6267	15.847	6	108.8145	6.096	75	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	111.1630	1.598	2	111.1630	2.554	2	111.1630	2.554	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	110.5626	1.075	14	110.5626	1.156	14	110.6139	1.221	18	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	110.3915	1.221	2	110.3915	1.491	2	110.6139	1.221	18	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NHHN)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	C(CCHH)(NHHN)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	111.1955	1.852	2	111.1955	3.430	2	110.6139	1.221	18	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(NHHV)(CH3)2	C(CCCN)(NCV)(H)2	C(CCCN)(H)3	C(CHHN)(NHHV)(CH3)2	C(CCCN)(NCV)(H)2	C(CCCN)(H)3	111.8710	0.511	2	111.8710	0.261	2	111.8710	0.261	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	C(CC[3]CC)(CCH)(H)2	C(CC[3]CC)(H)3	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	C(CC[3]CC)(CCH)(H)2	C(CC[3]CC)(H)3	109.9767	1.398	6	109.9767	1.953	6	109.9767	1.953	6	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[3]2H)(CHHN)(CH3)2	C(CC[3]CC)(NHS)(H)2	C(CC[3]CC)(H)3	C(C[3]C[3]2H)(CHHN)(CH3)2	C(CC[3]CC)(NHS)(H)2	C(CC[3]CC)(H)3	108.1340	3.156	4	108.1340	9.962	4	108.1340	9.962	4	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCO)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCO)(H)2	C(CC[5]CC)(H)3	108.7005	1.861	4	108.7005	3.464	4	108.7105	2.021	24	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)(CCHH)(CH3)2	C(CC[5]CC)(CC[6a]N)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CCHH)(CH3)2	C(CC[5]CC)(CC[6a]N)(H)2	C(CC[5]CC)(H)3	108.9660	2.080	2	108.9660	4.328	2	108.7105	2.021	24	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ni)(CCHH)(CH3)2	C(CC[5]CC)(CCH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ni)(CCHH)(CH3)2	C(CC[5]CC)(CCH)(H)2	C(CC[5]CC)(H)3	108.9849	1.388	12	108.9849	1.926	12	108.7105	2.021	24	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(CNO)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CC[5]CC)(CNO)(H)2	C(CC[5]CC)(H)3	108.4470	0.685	4	108.4470	0.469	4	108.7105	2.021	24	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(CC[6a]N)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(CC[6a]N)(H)2	C(CC[5]CC)(H)3	107.3550	2.048	2	107.3550	4.193	2	108.7105	2.021	24	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C(CC[6]CC)(CC[6]O)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	C(CC[6]CC)(CC[6]O)(H)2	C(CC[6]CC)(H)3	108.4105	1.389	2	108.4105	1.931	2	108.4105	1.931	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeC[6a]3)(CCHH)(CH3)2	C(CGeCC)(COO)(H)2	C(CGeCC)(H)3	C(GeC[6a]3)(CCHH)(CH3)2	C(CGeCC)(COO)(H)2	C(CGeCC)(H)3	109.6883	2.401	6	109.6883	5.766	6	109.9839	4.492	12	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeCl3)(CCHH)(CH3)2	C(CGeCC)(COO)(H)2	C(CGeCC)(H)3	C(GeCl3)(CCHH)(CH3)2	C(CGeCC)(COO)(H)2	C(CGeCC)(H)3	110.0373	1.789	4	110.0373	3.199	4	109.9839	4.492	12	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	Ge-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GeClTe2)(CCHH)(CH3)2	C(CGeCC)(CCO)(H)2	C(CGeCC)(H)3	C(GeClTe2)(CCHH)(CH3)2	C(CGeCC)(CCO)(H)2	C(CGeCC)(H)3	110.7640	3.038	2	110.7640	9.228	2	109.9839	4.492	12	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	Ge[4]-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	C(CGe[4]CC)(CCO)(H)2	C(CGe[4]CC)(H)3	C(Ge[4]Se[4]2Cl)(CCHH)(CH3)2	C(CGe[4]CC)(CCO)(H)2	C(CGe[4]CC)(H)3	110.4570	0.591	2	110.4570	0.349	2	110.4570	0.349	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	C(NC[6a]HH)(CCHH)(CH3)2	C(CCCN)(CCO)(H)2	C(CCCN)(H)3	112.5100	0.481	4	112.5100	0.232	4	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.3106	1.472	8	109.3106	2.168	8	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.5436	1.747	22	109.5436	3.051	22	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NCuHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	110.3065	1.698	2	110.3065	2.882	2	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.2604	1.638	48	109.2604	2.683	48	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NNiHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	111.1330	1.779	4	111.1330	3.165	4	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NPdHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	110.2813	1.807	6	110.2813	3.265	6	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPtHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NPtHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	110.3380	1.803	2	110.3380	3.251	2	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NRhHH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	110.3005	3.174	2	110.3005	10.076	2	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	C(NZnCH)(CCHH)(CH3)2	C(CCCN)(CCN)(H)2	C(CCCN)(H)3	109.4248	1.454	8	109.4248	2.116	8	109.6461	3.031	106	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CHHN)(CH3)2	C(CCCN)(NCoC)(H)2	C(CCCN)(H)3	C(NCoHH)(CHHN)(CH3)2	C(CCCN)(NCoC)(H)2	C(CCCN)(H)3	111.1278	0.274	4	111.1278	0.075	4	111.1278	0.075	4	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(OSn2)(H)2	C(CCCN)(H)3	C(NSnCC)(CHHO)(CH3)2	C(CCCN)(OSn2)(H)2	C(CCCN)(H)3	108.8800	1.571	10	108.8800	2.467	10	108.8800	2.467	10	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	N[5]-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	C(CN[5]CC)(NCC)(H)2	C(CN[5]CC)(H)3	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	C(CN[5]CC)(NCC)(H)2	C(CN[5]CC)(H)3	109.8190	0.448	2	109.8190	0.201	2	109.8190	0.201	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNiOO)(CHHN)(CH3)2	C(CCCS)(NNiC)(H)2	C(CCCS)(H)3	C(SNiOO)(CHHN)(CH3)2	C(CCCS)(NNiC)(H)2	C(CCCS)(H)3	112.3910	0.253	2	112.3910	0.064	2	112.3910	0.064	2	109.4584	3.870	412	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CCH)(H)2	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CCH)(H)2	C(CC3)(CC)(H)2	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CCH)(H)2	C(CC3)(OC)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CCH)(H)2	C(CC3)(OC)(H)2	109.4900	1.073	2	109.4900	1.152	2	109.0760	0.614	4	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC3)(CCH)(H)2	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CC3)(CCH)(H)2	C(CC3)(OH)(H)2	108.6620	0.069	2	108.6620	0.005	2	109.0760	0.614	4	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-2:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NC)(H)2	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCC)(H)2	C(CC3)(OC)(H)2	111.6220	0.000	1	111.6220	0.000	1	110.2385	6.679	4	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(OC)(H)2	C(CHHN)(CHHO)(CH3)2	C(CC3)(NCS)(H)2	C(CC3)(OC)(H)2	109.7773	2.957	3	109.7773	8.742	3	110.2385	6.679	4	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)4	C(CC3)(OVV)(H)2	C(CC3)(OC)(H)2	C(CHHO)4	C(CC3)(OVV)(H)2	C(CC3)(OC)(H)2	108.4830	1.703	3	108.4830	2.900	3	108.4830	2.900	3	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	N-4:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NFeCH)(CHHO)3	C(CCCN)(OFeH)(H)2	C(CCCN)(OH)(H)2	C(NFeCH)(CHHO)3	C(CCCN)(OFeH)(H)2	C(CCCN)(OH)(H)2	109.1420	1.723	2	109.1420	2.967	2	109.1420	2.967	2	109.6809	3.791	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	110.4487	2.434	3	110.4487	5.924	3	110.7747	7.043	29	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCV)(H)2	C(CC3)(NCV)(H)2	C(CHHN)2(CH3)2	C(CC3)(NCV)(H)2	C(CC3)(NCV)(H)2	110.4170	0.000	1	110.4170	0.000	1	110.7747	7.043	29	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(CH3)	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	C(CHHN)3(CH3)	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	112.0188	2.010	15	112.0188	4.041	15	110.7747	7.043	29	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)4	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	C(CHHN)4	C(CC3)(NCH)(H)2	C(CC3)(NCH)(H)2	109.1695	2.874	8	109.1695	8.260	8	110.7747	7.043	29	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)4	C(CC3)(NHN)(H)2	C(CC3)(NHN)(H)2	C(CHHN)4	C(CC3)(NHN)(H)2	C(CC3)(NHN)(H)2	108.5320	4.079	2	108.5320	16.635	2	110.7747	7.043	29	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:O-3:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)4	C(CC3)(OVV)(H)2	C(CC3)(OVV)(H)2	C(CHHO)4	C(CC3)(OVV)(H)2	C(CC3)(OVV)(H)2	110.4217	1.119	3	110.4217	1.253	3	110.4217	1.253	3	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(NCHH)	C(CCCN)(NCoC)(H)2	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCHH)	C(CCCN)(NCoC)(H)2	C(CCCN)(NCoC)(H)2	111.8720	1.164	2	111.8720	1.355	2	111.8720	1.355	2	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	N[5]-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	C(CN[5]CC)(NCC)(H)2	C(CN[5]CC)(NCC)(H)2	C(N[5]Ga[5]C[5]H)(CHHN)2(CH3)	C(CN[5]CC)(NCC)(H)2	C(CN[5]CC)(NCC)(H)2	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	110.8637	6.103	35	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:Br-1:H-1:	C-4:C-4:H-1:H-1:	C(CBrCH)(CCHH)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CCHH)(CC3)(H)2	C(CBrCH)(CCHH)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CCHH)(CC3)(H)2	104.6530	0.413	2	104.6530	0.171	2	104.6530	0.171	2	106.8683	14.808	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	C(CC3)(NCH)(H)2	C(CC3)(NH3)(H)2	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	106.8683	14.808	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:1:1:	4:4:4:4:	C-4:C-4:C-4:C-4:	C-4:C-3:Br-1:H-1:	C-4:C-4:C-4:C-4:	C(CBrCH)(CC3)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(CH3)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(CCO)(Br)(H)	C(CC3)(CH3)3	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(OC)(H)	C(CC[6]O)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(OC)(H)	C(CC[6]O)(CC3)(H)2	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-2:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(COO)(NC)(H)	C(CC3)(F)3	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(COO)(NC)(H)	C(CC3)(F)3	111.2610	0.000	1	111.2610	0.000	1	111.2610	0.000	1	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(COO)(NC)(H)	C(CC3)(H)3	C(CCHH)(CCHN)(CF3)(CH3)	C(CC3)(COO)(NC)(H)	C(CC3)(H)3	108.3510	0.000	1	108.3510	0.000	1	109.8245	4.516	4	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CNO)(NC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CNO)(NC)(H)	C(CC3)(H)3	110.3157	2.308	3	110.3157	5.326	3	109.8245	4.516	4	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCH)(OC)(H)	C(CC3)(H)3	108.9760	1.566	2	108.9760	2.451	2	109.3349	2.524	18	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCO)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCO)(OC)(H)	C(CC3)(H)3	108.7700	1.666	4	108.7700	2.774	4	109.3349	2.524	18	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC3)(CCH)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC3)(CCH)(OC)(H)	C(CC3)(H)3	109.4397	1.274	3	109.4397	1.623	3	109.3349	2.524	18	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC3)(CCO)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC3)(CCO)(OC)(H)	C(CC3)(H)3	109.1857	2.606	3	109.1857	6.792	3	109.3349	2.524	18	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC3)(COO)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC3)(COO)(OH)(H)	C(CC3)(H)3	109.8533	1.553	6	109.8533	2.411	6	109.3349	2.524	18	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(NHS)(CN)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(NHS)(CN)(H)	C(CC3)(H)3	108.9587	0.552	3	108.9587	0.305	3	108.9587	0.305	3	109.4409	2.475	26	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:2:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCO)(OC)(H)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)2	C(CC3)(CCO)(OC)(H)	C(CC3)(CCH)(H)2	111.2375	0.719	2	111.2375	0.517	2	111.2375	0.517	2	111.2375	0.517	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CCHH)(CH3)2	C(CC3)(COO)2(H)	C(CC3)(H)3	C(CCCH)(CCHH)(CH3)2	C(CC3)(COO)2(H)	C(CC3)(H)3	110.1935	2.903	2	110.1935	8.426	2	110.5990	8.409	7	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC3)(CCH)(CCN)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC3)(CCH)(CCN)(H)	C(CC3)(H)3	110.0733	4.360	3	110.0733	19.010	3	110.5990	8.409	7	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CCHH)(CH3)	C(CC3)(CCO)2(H)	C(CC3)(H)3	C(CCCH)2(CCHH)(CH3)	C(CC3)(CCO)2(H)	C(CC3)(H)3	111.7930	0.000	2	111.7930	0.000	2	110.5990	8.409	7	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CHN)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CHN)(NHS)(H)	C(CC3)(H)3	109.1722	1.359	6	109.1722	1.846	6	109.6199	3.724	48	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CNO)(NCC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CNO)(NCC)(H)	C(CC3)(H)3	110.1357	2.700	9	110.1357	7.290	9	109.6199	3.724	48	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CNO)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CNO)(NCH)(H)	C(CC3)(H)3	109.8791	2.003	9	109.8791	4.014	9	109.6199	3.724	48	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(COO)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(COO)(NCH)(H)	C(CC3)(H)3	109.6194	1.620	12	109.6194	2.626	12	109.6199	3.724	48	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(COO)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(COO)(NHS)(H)	C(CC3)(H)3	109.2630	1.924	12	109.2630	3.704	12	109.6199	3.724	48	109.7445	4.284	55	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[5]HH)(CHfC)(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[5]HH)(CHfC)(CC3)(H)	C(CC3)(H)3	110.6110	2.317	3	110.6110	5.368	3	110.6110	5.368	3	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHO)(NAlC)(CC3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHO)(NAlC)(CC3)(H)	C(CC3)(H)3	110.3367	2.211	3	110.3367	4.889	3	110.0062	5.383	9	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHO)(NFeC)(CC3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHO)(NFeC)(CC3)(H)	C(CC3)(H)3	109.8410	2.561	6	109.8410	6.559	6	110.0062	5.383	9	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CHHN)(OCuH)(CC3)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CHHN)(OCuH)(CC3)(H)	C(CC3)(H)3	109.6182	2.176	6	109.6182	4.733	6	109.4527	6.251	8	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:O-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(OZn2)(CC3)(H)	C(CC3)(H)3	108.9565	4.409	2	108.9565	19.438	2	109.4527	6.251	8	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5,5]N[5]H)(CH3)3	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	C(CC[5,5]N[5]H)(CH3)3	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C(CC3)(H)3	111.5197	3.664	3	111.5197	13.428	3	111.5197	13.428	3	110.0900	6.122	23	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(CC[6a]N)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(CC[6a]N)(CH3)2	C(CC[5]CC)(H)3	109.8570	1.461	2	109.8570	2.134	2	109.8570	2.134	2	112.1418	2.829	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(NOsH)(CH3)2	C(CCCN)(H)3	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(NOsH)(CH3)2	C(CCCN)(H)3	113.0445	1.365	2	113.0445	1.864	2	112.9033	0.750	6	112.1418	2.829	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:3:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:N-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(NRuH)(CH3)2	C(CCCN)(H)3	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(NRuH)(CH3)2	C(CCCN)(H)3	112.8328	0.780	4	112.8328	0.608	4	112.9033	0.750	6	112.1418	2.829	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	2:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(SC[6a])(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(SC[6a])(CC3)(H)2	108.1035	0.268	2	108.1035	0.072	2	108.1035	0.072	2	108.1035	0.072	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CC[6]O)(CC3)(H)2	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CC[6]O)(CC3)(H)2	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(NCoC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(NCoC)(CC3)(H)2	111.2215	0.026	2	111.2215	0.001	2	111.3015	0.869	6	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NNi2C)(CC3)(H)2	C(NNiC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NNi2C)(CC3)(H)2	C(NNiC)(CC3)(H)2	111.9735	0.760	2	111.9735	0.578	2	111.3015	0.869	6	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(NPtC)(CC3)(H)2	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(NPtC)(CC3)(H)2	111.7460	0.000	1	111.7460	0.000	1	111.3015	0.869	6	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(NCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(NCoC)(CC3)(H)2	109.6730	0.000	1	109.6730	0.000	1	111.3015	0.869	6	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(NAlCH)(CC3)(H)2	C(OAl2)(CC3)(H)2	C(CHHN)(CHHO)(CH3)2	C(NAlCH)(CC3)(H)2	C(OAl2)(CC3)(H)2	109.7620	0.000	1	109.7620	0.000	1	110.0380	0.152	2	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(OCoH)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(OCoH)(CC3)(H)2	110.3140	0.000	1	110.3140	0.000	1	110.0380	0.152	2	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	111.1710	0.000	1	111.1710	0.000	1	111.1483	1.102	18	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(SCoC)(CC3)(H)2	111.1469	1.082	17	111.1469	1.171	17	111.1483	1.102	18	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(OMo2)(CC3)(H)2	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(OMo2)(CC3)(H)2	111.3170	0.310	2	111.3170	0.096	2	111.2368	0.218	4	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(OMo2)(CC3)(H)2	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(OMo2)(CC3)(H)2	111.1565	0.730	2	111.1565	0.534	2	111.2368	0.218	4	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	106.8590	0.311	2	106.8590	0.097	2	106.6712	0.386	10	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	106.4878	0.752	6	106.4878	0.565	6	106.6712	0.386	10	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2)(CC3)(H)2	107.0335	0.132	2	107.0335	0.017	2	106.6712	0.386	10	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)(CHHS)2(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)(CHHS)2(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	112.8525	1.750	2	112.8525	3.063	2	112.4758	1.214	4	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(SC[6a]Mo)(CC3)(H)2	112.0990	0.107	2	112.0990	0.012	2	112.4758	1.214	4	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:N-4:	O-4:C-4:H-1:H-1:	O-3:C-4:H-1:H-1:	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	C(OCrMo)(CCCN)(H)2	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	C(OCrMo)(CCCN)(H)2	110.7165	0.837	2	110.7165	0.700	2	110.7165	0.700	2	110.2637	4.468	47	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	As-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(CC3)(Cl)(H)2	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(CC3)(Cl)(H)2	105.7255	4.290	2	105.7255	18.404	2	105.7255	18.404	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(CC3)(H)3	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(CC3)(H)3	113.5665	0.680	2	113.5665	0.462	2	111.7352	3.215	5	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	As-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAsHH)3(CH3)	C(AsGaCC)(CC3)(H)2	C(CC3)(H)3	C(CAsHH)3(CH3)	C(AsGaCC)(CC3)(H)2	C(CC3)(H)3	110.5143	0.780	3	110.5143	0.609	3	111.7352	3.215	5	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)3	C(BC[5]HH)(CC3)(H)2	C(CC3)(H)3	C(CBHH)(CH3)3	C(BC[5]HH)(CC3)(H)2	C(CC3)(H)3	110.0587	1.143	3	110.0587	1.306	3	110.8933	6.351	9	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	B-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)3	C(BC[6a]3)(CC3)(H)2	C(CC3)(H)3	C(CBHH)(CH3)3	C(BC[6a]3)(CC3)(H)2	C(CC3)(H)3	111.3107	3.002	6	111.3107	9.011	6	110.8933	6.351	9	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CClCH)(CH3)3	C(CHHO)(CC3)(Cl)(H)	C(CC3)(H)3	C(CClCH)(CH3)3	C(CHHO)(CC3)(Cl)(H)	C(CC3)(H)3	110.1601	2.462	9	110.1601	6.062	9	110.1601	6.062	9	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CCHH)(CF3)3	C(CRhHH)(CC3)(H)2	C(CC3)(F)3	C(CCHH)(CF3)3	C(CRhHH)(CC3)(H)2	C(CC3)(F)3	109.9347	2.176	3	109.9347	4.736	3	109.9347	4.736	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBrCH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CBrCH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	110.5090	0.383	4	110.5090	0.146	4	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	108.1270	0.000	2	108.1270	0.000	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.4730	4.111	2	109.4730	16.901	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CAl2C)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CAl2C)(CC3)(H)2	C(CC3)(H)3	109.8647	2.256	3	109.8647	5.092	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CB[5]CH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CB[5]CH)(CC3)(H)2	C(CC3)(H)3	109.7977	1.748	6	109.7977	3.054	6	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)(CH3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)(CH3)(H)2	C(CC3)(H)3	110.2591	8.399	8	110.2591	70.544	8	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC3)2(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC3)2(H)2	C(CC3)(H)3	111.1693	3.849	3	111.1693	14.815	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CCCH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CCCH)(CC3)(H)2	C(CC3)(H)3	109.8380	2.073	21	109.8380	4.299	21	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CCCN)(CC3)(H)2	C(CC3)(H)3	110.5241	3.824	93	110.5241	14.624	93	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.8617	1.638	3	109.8617	2.683	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[5]CH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[5]CH)(CC3)(H)2	C(CC3)(H)3	109.5480	2.256	3	109.5480	5.088	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[5a]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[5a]CC)(CC3)(H)2	C(CC3)(H)3	110.6808	3.333	12	110.6808	11.108	12	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[5a]N[6]H)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[5a]N[6]H)(CC3)(H)2	C(CC3)(H)3	109.9993	3.217	3	109.9993	10.347	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6]CC)(CC3)(H)2	C(CC3)(H)3	110.5859	3.678	9	110.5859	13.526	9	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6]HS)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6]HS)(CC3)(H)2	C(CC3)(H)3	110.4180	2.425	3	110.4180	5.881	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6a]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6a]CC)(CC3)(H)2	C(CC3)(H)3	110.6608	3.468	101	110.6608	12.027	101	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6a]HN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6a]HN)(CC3)(H)2	C(CC3)(H)3	110.6587	2.790	3	110.6587	7.783	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CC[6a]HO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CC[6a]HO)(CC3)(H)2	C(CC3)(H)3	109.3260	1.696	3	109.3260	2.876	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CHHN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CHHN)(CC3)(H)2	C(CC3)(H)3	109.7748	1.352	9	109.7748	1.828	9	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CHHO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CHHO)(CC3)(H)2	C(CC3)(H)3	109.6977	2.009	12	109.6977	4.037	12	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CHPS)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CHPS)(CC3)(H)2	C(CC3)(H)3	109.7273	2.414	3	109.7273	5.827	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CMoOO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CMoOO)(CC3)(H)2	C(CC3)(H)3	109.0193	1.797	3	109.0193	3.230	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CN[3]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CN[3]CC)(CC3)(H)2	C(CC3)(H)3	110.4303	4.357	3	110.4303	18.981	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CN[5,5]HH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CN[5,5]HH)(CC3)(H)2	C(CC3)(H)3	109.8780	2.182	3	109.8780	4.759	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CN[5]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CN[5]CC)(CC3)(H)2	C(CC3)(H)3	110.7653	4.277	3	110.7653	18.293	3	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CN[5a]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CN[5a]CC)(CC3)(H)2	C(CC3)(H)3	110.4336	3.721	9	110.4336	13.846	9	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CN[6a]CC)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CN[6a]CC)(CC3)(H)2	C(CC3)(H)3	110.6470	4.557	6	110.6470	20.767	6	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CSi[4a]Si2)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CSi[4a]Si2)(CC3)(H)2	C(CC3)(H)3	110.5153	3.630	9	110.5153	13.176	9	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CSnHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CSnHH)(CC3)(H)2	C(CC3)(H)3	110.0643	2.315	6	110.0643	5.360	6	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.1435	1.583	2	109.1435	2.507	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CCHN)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(H)3	C(CCHH)2(CCHN)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(H)3	108.9513	1.426	4	108.9513	2.032	4	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(H)3	C(CCHH)2(CCHO)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(H)3	109.7475	0.028	2	109.7475	0.001	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(CC3)(H)3	105.2790	0.597	2	105.2790	0.356	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.3705	2.344	2	109.3705	5.495	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CHHN)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CHHN)(CC3)(H)2	C(CC3)(H)3	108.6390	2.151	2	108.6390	4.627	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CH3)2	C(CSiHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)2(CH3)2	C(CSiHH)(CC3)(H)2	C(CC3)(H)3	108.9213	1.529	32	108.9213	2.337	32	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)3(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)3(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	110.0590	0.000	1	110.0590	0.000	1	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CC3)(H)3	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CC3)(H)3	110.4730	0.000	1	110.4730	0.000	1	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[3]CH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.1986	1.212	8	109.1986	1.468	8	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(CCHO)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(CCHO)(CC3)(H)2	C(CC3)(H)3	108.4472	1.781	4	108.4472	3.172	4	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(H)3	109.0310	0.000	1	109.0310	0.000	1	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6a]HO)(CCHH)(CH3)2	C(CCHO)(CC3)(H)2	C(CC3)(H)3	C(CC[6a]HO)(CCHH)(CH3)2	C(CCHO)(CC3)(H)2	C(CC3)(H)3	108.2897	2.646	6	108.2897	7.002	6	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	C(CPtHH)(CCHH)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(H)3	108.7295	2.665	2	108.7295	7.103	2	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CPtHH)(CCHH)(CH3)2	C(CPtCH)(CC3)(H)2	C(CC3)(H)3	C(CPtHH)(CCHH)(CH3)2	C(CPtCH)(CC3)(H)2	C(CC3)(H)3	110.1766	0.292	7	110.1766	0.085	7	110.1269	10.388	424	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C(CCHI)(CH3)3	C(CCHH)(CC3)(H)(I)	C(CC3)(H)3	C(CCHI)(CH3)3	C(CCHH)(CC3)(H)(I)	C(CC3)(H)3	109.9413	2.617	6	109.9413	6.847	6	109.9413	6.847	6	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NH3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(CC3)(NH3)(H)2	C(CC3)(H)3	109.3713	2.451	10	109.3713	6.008	10	109.3713	6.008	10	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[4]HH)(CH3)3	C(C[4]Ge[4]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[4]HH)(CH3)3	C(C[4]Ge[4]2H)(CC3)(H)2	C(CC3)(H)3	109.9437	2.441	6	109.9437	5.957	6	109.9437	5.957	6	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:Br-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]BrH)(CH3)3	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C(CC3)(H)3	C(CC[5]BrH)(CH3)3	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C(CC3)(H)3	110.2080	2.756	3	110.2080	7.596	3	110.2080	7.596	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:Cl-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]ClH)(CH3)3	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C(CC3)(H)3	C(CC[5]ClH)(CH3)3	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C(CC3)(H)3	110.1983	3.056	3	110.1983	9.340	3	110.1983	9.340	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C(CC[5]HH)(CF3)(CH3)2	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(F)3	C(CC[5]HH)(CF3)(CH3)2	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(F)3	105.9635	0.105	2	105.9635	0.011	2	105.9635	0.011	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2C)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2C)(CC3)(H)2	C(CC3)(H)3	109.4510	4.705	4	109.4510	22.139	4	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	108.5023	1.225	4	108.5023	1.502	4	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CF3)(CH3)2	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CF3)(CH3)2	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(H)3	112.9052	0.543	4	112.9052	0.294	4	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C(CC3)(H)3	109.6322	1.715	12	109.6322	2.940	12	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C(CC3)(H)3	110.5160	3.701	6	110.5160	13.695	6	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Fe)(CC3)(H)2	C(CC3)(H)3	109.3868	1.602	24	109.3868	2.567	24	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(H)3	110.1078	2.611	9	110.1078	6.817	9	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Os)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Os)(CC3)(H)2	C(CC3)(H)3	109.7880	2.275	3	109.7880	5.174	3	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Ru)(CC3)(H)2	C(CC3)(H)3	C(CC[5]HH)(CH3)3	C(C[5]C[5]2Ru)(CC3)(H)2	C(CC3)(H)3	110.5019	2.538	21	110.5019	6.442	21	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5]N[5]S[5]C)(CC3)(H)2	C(CC3)(H)3	C(CC[5a]HH)(CC[5]HH)(CH3)2	C(C[5]N[5]S[5]C)(CC3)(H)2	C(CC3)(H)3	108.5405	3.342	2	108.5405	11.172	2	109.9478	5.708	89	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C(CC[5]HI)(CH3)3	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC3)(H)3	C(CC[5]HI)(CH3)3	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC3)(H)3	110.0700	3.155	3	110.0700	9.951	3	110.0700	9.951	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CH3)3	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C(CC3)(H)3	C(CC[6]HH)(CH3)3	C(C[6]C[6,6a]C[6]C)(CC3)(H)2	C(CC3)(H)3	110.4983	4.206	3	110.4983	17.691	3	110.4983	17.691	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(NCo2H)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHN)(CH3)2	C(NCo2H)(CC3)(H)2	C(CC3)(H)3	111.1025	0.176	2	111.1025	0.031	2	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NCHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NCHH)(CC3)(H)2	C(CC3)(H)3	109.0513	2.883	6	109.0513	8.313	6	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6]Li2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6]Li2)(CC3)(H)2	C(CC3)(H)3	109.8017	1.517	3	109.8017	2.302	3	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]Al2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]Al2)(CC3)(H)2	C(CC3)(H)3	109.9747	4.197	3	109.9747	17.611	3	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NC[6a]AlH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NC[6a]AlH)(CC3)(H)2	C(CC3)(H)3	109.4116	2.783	9	109.4116	7.744	9	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NFeCC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NFeCC)(CC3)(H)2	C(CC3)(H)3	110.3356	4.667	18	110.3356	21.784	18	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)3	C(NNiCC)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CH3)3	C(NNiCC)(CC3)(H)2	C(CC3)(H)3	111.8002	4.257	5	111.8002	18.120	5	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(H)3	109.6555	2.889	2	109.6555	8.344	2	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)(CHHO)(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	108.6290	0.000	1	108.6290	0.000	1	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(H)3	108.6400	2.758	2	108.6400	7.605	2	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCCH)(CC3)(H)2	C(CC3)(H)3	111.4170	1.805	4	111.4170	3.259	4	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCHH)(CC3)(H)2	C(CC3)(H)3	110.1540	2.373	4	110.1540	5.629	4	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	108.9878	2.513	21	108.9878	6.316	21	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	108.9237	2.172	12	108.9237	4.716	12	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NCrHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NCrHH)(CC3)(H)2	C(CC3)(H)3	108.9493	2.906	4	108.9493	8.448	4	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NNi2C)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NNi2C)(CC3)(H)2	C(CC3)(H)3	109.5405	4.386	4	109.5405	19.237	4	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NNiCH)(CC3)(H)2	C(CC3)(H)3	108.3494	3.335	8	108.3494	11.124	8	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NNiHH)(CC3)(H)2	C(CC3)(H)3	109.2006	2.533	8	109.2006	6.414	8	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(CC3)(H)3	108.9778	2.709	10	108.9778	7.340	10	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NRuHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NRuHH)(CC3)(H)2	C(CC3)(H)3	108.9768	3.067	4	108.9768	9.406	4	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)2	C(NZnCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CH3)2	C(NZnCH)(CC3)(H)2	C(CC3)(H)3	108.9777	2.112	25	108.9777	4.459	25	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(CC3)(H)3	108.2897	0.642	17	108.2897	0.412	17	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(CC3)(H)3	110.4990	0.369	2	110.4990	0.136	2	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Co2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NC[6a]Co2)(CC3)(H)2	C(CC3)(H)3	106.3613	0.680	6	106.3613	0.462	6	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Fe2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NC[6a]Fe2)(CC3)(H)2	C(CC3)(H)3	106.0906	0.420	33	106.0906	0.176	33	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Mn2)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NC[6a]Mn2)(CC3)(H)2	C(CC3)(H)3	105.0331	0.571	12	105.0331	0.327	12	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NCoCH)(CC3)(H)2	C(CC3)(H)3	107.5052	0.601	6	107.5052	0.361	6	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NReHH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NReHH)(CC3)(H)2	C(CC3)(H)3	107.9973	0.412	3	107.9973	0.170	3	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)3(CH3)	C(NZnCH)(CC3)(H)2	C(CC3)(H)3	C(CHHN)3(CH3)	C(NZnCH)(CC3)(H)2	C(CC3)(H)3	106.4470	0.129	3	106.4470	0.017	3	108.4694	7.831	237	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2H)(CC3)(H)2	C(CC3)(H)3	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2H)(CC3)(H)2	C(CC3)(H)3	108.9583	2.135	4	108.9583	4.557	4	108.9583	4.557	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CH3)3	C(OZn3)(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CH3)3	C(OZn3)(CC3)(H)2	C(CC3)(H)3	109.2663	2.826	3	109.2663	7.989	3	107.1774	2.362	17	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OCrMo2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OCrMo2)(CC3)(H)2	C(CC3)(H)3	106.5222	0.630	6	106.5222	0.396	6	107.1774	2.362	17	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(CC3)(H)3	107.1410	0.112	2	107.1410	0.012	2	107.1774	2.362	17	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OFe3)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OFe3)(CC3)(H)2	C(CC3)(H)3	107.0282	0.932	4	107.0282	0.868	4	107.1774	2.362	17	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(CC3)(H)3	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(CC3)(H)3	106.3445	0.274	2	106.3445	0.075	2	107.1774	2.362	17	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(H)3	112.2095	0.030	2	112.2095	0.001	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(CC3)(H)3	112.0105	1.438	2	112.0105	2.067	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	112.9245	0.342	2	112.9245	0.117	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(PC[5]Li2)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CH3)3	C(PC[5]Li2)(CC3)(H)2	C(CC3)(H)3	109.4387	1.867	3	109.4387	3.487	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(PC[6a]2O)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CH3)3	C(PC[6a]2O)(CC3)(H)2	C(CC3)(H)3	109.5090	2.138	3	109.5090	4.571	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(PPdCC)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CH3)3	C(PPdCC)(CC3)(H)2	C(CC3)(H)3	110.5612	3.410	33	110.5612	11.631	33	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(PPdNN)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CH3)3	C(PPdNN)(CC3)(H)2	C(CC3)(H)3	110.0227	2.840	3	110.0227	8.065	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CHHS)2(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CHHS)2(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	107.1190	0.000	1	107.1190	0.000	1	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CH3)2	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(H)3	109.0015	2.325	20	109.0015	5.407	20	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CH3)2	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(H)3	109.2348	3.183	4	109.2348	10.131	4	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CH3)2	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	108.6750	2.972	12	108.6750	8.831	12	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]3)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CH3)2	C(PC[6a]3)(CC3)(H)2	C(CC3)(H)3	108.9910	4.321	4	108.9910	18.672	4	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(CC3)(H)3	111.7220	0.416	2	111.7220	0.173	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	106.9875	0.084	2	106.9875	0.007	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PCCW)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PCCW)(CC3)(H)2	C(CC3)(H)3	106.8203	0.410	3	106.8203	0.168	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Au)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Au)(CC3)(H)2	C(CC3)(H)3	109.7587	5.208	3	109.7587	27.123	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2C)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2C)(CC3)(H)2	C(CC3)(H)3	111.1190	0.073	3	111.1190	0.005	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Cl)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Cl)(CC3)(H)2	C(CC3)(H)3	110.8040	0.000	1	110.8040	0.000	1	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Co)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Co)(CC3)(H)2	C(CC3)(H)3	107.2594	0.480	14	107.2594	0.230	14	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(CC3)(H)3	106.8564	1.599	17	106.8564	2.557	17	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(CC3)(H)3	107.8579	1.452	36	107.8579	2.108	36	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(CC3)(H)3	107.9696	1.807	5	107.9696	3.266	5	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(H)3	109.0712	2.453	4	109.0712	6.020	4	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(H)3	108.4996	2.847	7	108.4996	8.107	7	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2O)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2O)(CC3)(H)2	C(CC3)(H)3	107.2803	1.672	3	107.2803	2.797	3	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Re)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Re)(CC3)(H)2	C(CC3)(H)3	106.8873	0.471	21	106.8873	0.221	21	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(H)3	107.3681	1.027	14	107.3681	1.055	14	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2W)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]2W)(CC3)(H)2	C(CC3)(H)3	111.5590	0.272	2	111.5590	0.074	2	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]C[6]Co)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]C[6]Co)(CC3)(H)2	C(CC3)(H)3	106.3010	0.000	1	106.3010	0.000	1	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]C[6]Ni)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PC[6a]C[6]Ni)(CC3)(H)2	C(CC3)(H)3	107.1940	0.000	1	107.1940	0.000	1	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PCrCC)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PCrCC)(CC3)(H)2	C(CC3)(H)3	107.3048	0.417	6	107.3048	0.174	6	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)3(CH3)	C(PMoCC)(CC3)(H)2	C(CC3)(H)3	C(CHHP)3(CH3)	C(PMoCC)(CC3)(H)2	C(CC3)(H)3	107.0852	0.623	6	107.0852	0.388	6	108.4770	6.270	240	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CP[3]HH)(CH3)3	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CC3)(H)3	C(CP[3]HH)(CH3)3	C(P[3]C[3]P[3]C)(CC3)(H)2	C(CC3)(H)3	109.7540	3.414	3	109.7540	11.657	3	109.7540	11.657	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	S-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHS)(CH3)3	C(SC[6a]PdO)(CC3)(H)2	C(CC3)(H)3	C(CHHS)(CH3)3	C(SC[6a]PdO)(CC3)(H)2	C(CC3)(H)3	109.1247	3.810	3	109.1247	14.517	3	109.1247	14.517	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Si-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CSiHH)(CH3)3	C(SiSiCC)(CC3)(H)2	C(CC3)(H)3	C(CSiHH)(CH3)3	C(SiSiCC)(CC3)(H)2	C(CC3)(H)3	109.8297	2.895	3	109.8297	8.382	3	109.8297	8.382	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CC3)(H)2	C(CCCN)(H)3	114.4991	1.058	10	114.4991	1.120	10	113.2775	16.331	20	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)2(NH3)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	C(CCHH)(CH3)2(NH3)	C(CCCN)(CH3)(H)2	C(CCCN)(H)3	112.0558	5.481	10	112.0558	30.040	10	113.2775	16.331	20	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(H)3	110.6453	2.452	3	110.6453	6.012	3	110.6453	6.012	3	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	110.5307	2.728	4	110.5307	7.444	4	111.2777	3.885	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	C(CCCN)(H)3	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	C(CCCN)(H)3	112.0247	0.364	4	112.0247	0.133	4	111.2777	3.885	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:S-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHN)(CH3)2(SO3)	C(CCCS)(NCCH)(H)2	C(CCCS)(H)3	C(CHHN)(CH3)2(SO3)	C(CCCS)(NCCH)(H)2	C(CCCS)(H)3	109.3945	7.522	4	109.3945	56.580	4	109.3945	56.580	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCCH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NCCH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	111.5205	1.589	2	111.5205	2.525	2	110.8305	2.319	34	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(CCHH)(NCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	110.7874	1.535	32	110.7874	2.355	32	110.8305	2.319	34	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HH)(NCHH)(CH3)2	C(C[5]C[5]2H)(CCCN)(H)2	C(CCCN)(H)3	C(CC[5]HH)(NCHH)(CH3)2	C(C[5]C[5]2H)(CCCN)(H)2	C(CCCN)(H)3	113.0605	0.386	4	113.0605	0.149	4	113.0605	0.149	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:N-4:C-4:C-4:	N[3]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CN[3]HH)(NCuHH)(CH3)2	C(N[3]C[3]2Cu)(CCCN)(H)2	C(CCCN)(H)3	C(CN[3]HH)(NCuHH)(CH3)2	C(N[3]C[3]2Cu)(CCCN)(H)2	C(CCCN)(H)3	110.5947	1.768	10	110.5947	3.126	10	110.5947	3.126	10	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:P-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(PCHH)(CH3)2	C(CCCP)(CH3)(H)2	C(CCCP)(H)3	C(CCHH)(PCHH)(CH3)2	C(CCCP)(CH3)(H)2	C(CCCP)(H)3	110.3981	1.950	8	110.3981	3.803	8	110.3981	3.803	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:Si-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(CCHH)(H)2	C(CSiCC)(H)3	C(CCHH)(SiO3)(CH3)2	C(CSiCC)(CCHH)(H)2	C(CSiCC)(H)3	109.3644	2.022	8	109.3644	4.090	8	109.3644	4.090	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(CF3)(H)2	C(CC[3]CC)(H)3	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(CF3)(H)2	C(CC[3]CC)(H)3	111.2365	0.757	2	111.2365	0.574	2	111.2365	0.574	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4,6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]CC)(H)3	C(C[4,6]C[4,6,6]2H)(CCHH)(CH3)2	C(CC[4,6]CC)(CCHH)(H)2	C(CC[4,6]CC)(H)3	108.4980	4.538	2	108.4980	20.595	2	108.4980	20.595	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(CCHH)(H)2	C(CC[4]CC)(H)3	C(C[4]C[6a]Se[4]2)(CCHH)(CH3)2	C(CC[4]CC)(CCHH)(H)2	C(CC[4]CC)(H)3	108.0745	2.471	4	108.0745	6.106	4	108.0745	6.106	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CC[5,6]CC)(CCHH)(H)2	C(CC[5,6]CC)(H)3	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)2	C(CC[5,6]CC)(CCHH)(H)2	C(CC[5,6]CC)(H)3	107.9095	1.264	10	107.9095	1.598	10	107.9095	1.598	10	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	107.6365	3.077	2	107.6365	9.466	2	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5,5]N[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	107.9480	2.940	2	107.9480	8.644	2	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[3,5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	108.3235	1.961	2	108.3235	3.845	2	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	108.7166	1.524	10	108.7166	2.321	10	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CC[6]HH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CC[6]HH)(H)2	C(CC[5]CC)(H)3	108.3705	0.910	4	108.3705	0.828	4	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CH3)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Fe)(CCHH)(CH3)2	C(CC[5]CC)(CH3)(H)2	C(CC[5]CC)(H)3	110.5005	0.989	4	110.5005	0.979	4	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	108.4731	2.276	10	108.4731	5.180	10	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	108.4410	1.469	2	108.4410	2.159	2	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C(CC[5]CC)(CCHH)(H)2	C(CC[5]CC)(H)3	109.6540	2.417	2	109.6540	5.841	2	108.7207	3.309	38	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[3,6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	108.0419	2.901	34	108.0419	8.418	34	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[3]HH)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[3]HH)(CC[6]CC)(H)2	C(CC[6]CC)(H)3	107.6329	2.790	8	107.6329	7.783	8	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[3,6]C[6]H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	108.3520	2.377	62	108.3520	5.651	62	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	110.9610	0.000	1	110.9610	0.000	1	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(H)3	107.7261	2.960	24	107.7261	8.761	24	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CH3)(H)2	C(CC[6]CC)(H)3	C(C[6]C[6]2H)(CCHH)(CH3)2	C(CC[6]CC)(CH3)(H)2	C(CC[6]CC)(H)3	107.0585	4.945	2	107.0585	24.451	2	108.1131	7.095	131	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NCoCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.4222	2.013	18	109.4222	4.051	18	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NCrCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.9713	1.968	26	109.9713	3.874	26	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NCuCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.7831	2.201	16	109.7831	4.844	16	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NFeCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.4497	2.664	6	109.4497	7.098	6	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NNiCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.9146	1.706	151	109.9146	2.911	151	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NPdHH)(CCHH)(CH3)2	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	C(NPdHH)(CCHH)(CH3)2	C(CC[6a]HH)(CCCN)(H)2	C(CCCN)(H)3	110.0080	1.805	2	110.0080	3.256	2	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NRhCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	C(NRhCH)(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	C(CCCN)(H)3	109.6625	2.226	4	109.6625	4.957	4	109.8558	3.307	223	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCdHH)(CHHN)(CH3)2	C(NCdCH)(CCCN)(H)2	C(CCCN)(H)3	C(NCdHH)(CHHN)(CH3)2	C(NCdCH)(CCCN)(H)2	C(CCCN)(H)3	110.0915	2.355	2	110.0915	5.548	2	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCdHH)(CHHN)2(CH3)	C(NCdCH)(CCCN)(H)2	C(CCCN)(H)3	C(NCdHH)(CHHN)2(CH3)	C(NCdCH)(CCCN)(H)2	C(CCCN)(H)3	109.1820	0.058	2	109.1820	0.003	2	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCoHH)(CHHN)2(CH3)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	C(NCoHH)(CHHN)2(CH3)	C(NCoCH)(CCCN)(H)2	C(CCCN)(H)3	111.4318	0.836	22	111.4318	0.698	22	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CHHN)(CH3)2	C(NCuCH)(CCCN)(H)2	C(CCCN)(H)3	C(NCuHH)(CHHN)(CH3)2	C(NCuCH)(CCCN)(H)2	C(CCCN)(H)3	110.4565	1.150	2	110.4565	1.324	2	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NCuHH)(CHHN)2(CH3)	C(NCuCH)(CCCN)(H)2	C(CCCN)(H)3	C(NCuHH)(CHHN)2(CH3)	C(NCuCH)(CCCN)(H)2	C(CCCN)(H)3	109.0660	0.936	2	109.0660	0.876	2	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NFeHH)(CHHN)2(CH3)	C(NFeCH)(CCCN)(H)2	C(CCCN)(H)3	C(NFeHH)(CHHN)2(CH3)	C(NFeCH)(CCCN)(H)2	C(CCCN)(H)3	110.9775	0.236	4	110.9775	0.056	4	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NNiHH)(CHHN)2(CH3)	C(NNiCH)(CCCN)(H)2	C(CCCN)(H)3	C(NNiHH)(CHHN)2(CH3)	C(NNiCH)(CCCN)(H)2	C(CCCN)(H)3	110.0425	0.356	2	110.0425	0.127	2	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NZnHH)(CHHN)2(CH3)	C(NZnCH)(CCCN)(H)2	C(CCCN)(H)3	C(NZnHH)(CHHN)2(CH3)	C(NZnCH)(CCCN)(H)2	C(CCCN)(H)3	109.9430	0.000	1	109.9430	0.000	1	110.8927	1.269	37	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2Co)(CHHN)2(CH3)	C(CN[6]CC)(NCoCC)(H)2	C(CN[6]CC)(H)3	C(N[6]C[6]2Co)(CHHN)2(CH3)	C(CN[6]CC)(NCoCC)(H)2	C(CN[6]CC)(H)3	108.4200	0.715	8	108.4200	0.511	8	108.5723	0.373	14	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2Cu)(CHHN)2(CH3)	C(CN[6]CC)(NCuCC)(H)2	C(CN[6]CC)(H)3	C(N[6]C[6]2Cu)(CHHN)2(CH3)	C(CN[6]CC)(NCuCC)(H)2	C(CN[6]CC)(H)3	108.8543	0.430	4	108.8543	0.185	4	108.5723	0.373	14	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(N[6]C[6]2Zn)(CHHN)2(CH3)	C(CN[6]CC)(NZnCC)(H)2	C(CN[6]CC)(H)3	C(N[6]C[6]2Zn)(CHHN)2(CH3)	C(CN[6]CC)(NZnCC)(H)2	C(CN[6]CC)(H)3	108.6175	0.453	2	108.6175	0.205	2	108.5723	0.373	14	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCCP)(CH3)(H)2	C(CCCP)(H)3	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCCP)(CH3)(H)2	C(CCCP)(H)3	109.7198	2.539	4	109.7198	6.447	4	110.6312	3.779	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	111.2060	0.102	2	111.2060	0.010	2	110.6312	3.779	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	C(CCCP)(H)3	111.8795	0.032	2	111.8795	0.001	2	110.6312	3.779	8	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	C(CCCS)(H)3	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	C(CCCS)(H)3	109.1970	0.000	1	109.1970	0.000	1	110.0365	1.410	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CHHO)(H)2	C(CCCS)(H)3	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CHHO)(H)2	C(CCCS)(H)3	110.8760	0.000	1	110.8760	0.000	1	110.0365	1.410	2	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SNiOO)(CHHN)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	C(SNiOO)(CHHN)(CH3)2	C(NNiCC)(CCCS)(H)2	C(CCCS)(H)3	111.6475	0.542	2	111.6475	0.294	2	110.8332	3.864	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SRuOO)(CHHN)(CH3)2	C(NRuCC)(CCCS)(H)2	C(CCCS)(H)3	C(SRuOO)(CHHN)(CH3)2	C(NRuCC)(CCCS)(H)2	C(CCCS)(H)3	110.0190	2.940	2	110.0190	8.644	2	110.8332	3.864	4	109.4248	7.897	1658	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)3	C(CC3)(CH3)(H)2	C(CC3)(OC)(H)2	C(CCHH)(CHHO)3	C(CC3)(CH3)(H)2	C(CC3)(OC)(H)2	110.3345	3.353	8	110.3345	11.240	8	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)(CHHO)3	C(CC3)(CH3)(H)2	C(CC3)(OH)(H)2	C(CCHH)(CHHO)3	C(CC3)(CH3)(H)2	C(CC3)(OH)(H)2	109.6626	2.507	7	109.6626	6.283	7	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CH3)(H)2	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CH3)(H)2	C(CC3)(OH)(H)2	108.7735	2.246	8	108.7735	5.046	8	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CC3)(OH)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CC3)(OH)(H)2	108.7223	2.538	8	108.7223	6.441	8	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(CHHO)(CC3)(H)2	C(CC3)(OC)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(CHHO)(CC3)(H)2	C(CC3)(OC)(H)2	112.3780	0.000	1	112.3780	0.000	1	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CC[6a]HH)(CCHH)(CHHO)2	C(CHHO)(CC3)(H)2	C(CC3)(OS)(H)2	C(CC[6a]HH)(CCHH)(CHHO)2	C(CHHO)(CC3)(H)2	C(CC3)(OS)(H)2	105.8600	0.000	1	105.8600	0.000	1	109.3490	7.262	33	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHN)3(CHHO)	C(CC3)(NH3)(H)2	C(CC3)(OH)(H)2	C(CHHN)3(CHHO)	C(CC3)(NH3)(H)2	C(CC3)(OH)(H)2	109.2940	1.572	3	109.2940	2.472	3	109.2940	2.472	3	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(CC3)(CC)(H)2	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(CC3)(CC)(H)2	107.2940	1.105	2	107.2940	1.220	2	107.2940	1.220	2	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(OH)(H)2	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(CC3)(OH)(H)2	105.4635	2.422	2	105.4635	5.865	2	106.0022	2.175	5	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(CHHO)(CHHP)3	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(OC)(H)2	C(CHHO)(CHHP)3	C(PC[6a]2Mo)(CC3)(H)2	C(CC3)(OC)(H)2	106.3613	0.966	3	106.3613	0.934	3	106.0022	2.175	5	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[3]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(CF3)(H)2	C(CC[3]CC)(OH)(H)2	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C(CC[3]CC)(CF3)(H)2	C(CC[3]CC)(OH)(H)2	107.6180	3.793	2	107.6180	14.386	2	107.6180	14.386	2	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(OC)(H)2	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	C(CC[6]CC)(CCHH)(H)2	C(CC[6]CC)(OC)(H)2	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	N-4:C-4:C-4:C-4:	C-4:O-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C(NNiHH)(CHHO)3	C(CCCN)(ONi3)(H)2	C(CCCN)(OH)(H)2	C(NNiHH)(CHHO)3	C(CCCN)(ONi3)(H)2	C(CCCN)(OH)(H)2	109.1135	0.360	2	109.1135	0.130	2	109.1135	0.130	2	108.8856	7.006	48	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)2(CH3)2	C(CSiHH)(CC3)(H)2	C(CC3)(COO)(H)2	C(CCHH)2(CH3)2	C(CSiHH)(CC3)(H)2	C(CC3)(COO)(H)2	109.8963	2.337	16	109.8963	5.463	16	109.8963	5.463	16	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(NCS)(H)2	C(CCHH)(CHHN)(CH3)2	C(CCHH)(CC3)(H)2	C(CC3)(NCS)(H)2	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2C)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2C)(CC3)(H)2	C(CC3)(CCH)(H)2	112.6430	0.129	2	112.6430	0.017	2	112.6430	0.017	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHN)(CH3)2	C(NCo2H)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CCHH)(CHHN)(CH3)2	C(NCo2H)(CC3)(H)2	C(CC3)(CCH)(H)2	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)2(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(NCH)(H)2	C(CHHN)2(CH3)2	C(NAlCH)(CC3)(H)2	C(CC3)(NCH)(H)2	112.6490	0.000	1	112.6490	0.000	1	112.2570	0.207	3	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(CC3)(NCC)(H)2	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(CC3)(NCC)(H)2	112.0610	0.429	2	112.0610	0.184	2	112.2570	0.207	3	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N[4]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2H)(CC3)(H)2	C(CC3)(NCC)(H)2	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2H)(CC3)(H)2	C(CC3)(NCC)(H)2	111.4640	1.174	2	111.4640	1.378	2	111.4640	1.378	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(CCH)(H)2	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(CCH)(H)2	106.4205	2.114	2	106.4205	4.467	2	106.4205	4.467	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(CH3)(H)2	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	C(CCCN)(CH3)(H)2	C(CCCN)(NCH)(H)2	114.1650	0.964	2	114.1650	0.930	2	114.1650	0.930	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCH)(H)2	112.3940	0.406	2	112.3940	0.165	2	112.3940	0.165	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(NCoC)(H)2	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	C(CCCN)(NCoC)(H)2	112.0927	0.548	4	112.0927	0.301	4	112.0927	0.301	4	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:N-4:	O-4:C-4:H-1:H-1:	C-4:O-3:H-1:H-1:	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	C(CCCN)(OMo2)(H)2	C(CHHO)3(NH3)	C(OCrMo2)(CCCN)(H)2	C(CCCN)(OMo2)(H)2	111.1325	0.292	2	111.1325	0.085	2	111.1325	0.085	2	110.8324	5.456	37	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:3:3:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(CCO)2(H)	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CC3)(CCO)2(H)	106.7430	0.000	2	106.7430	0.000	2	106.7430	0.000	2	106.7430	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(AsC[6a]CoC)(CC3)(H)2	C(CAsHH)2(CClHH)(CH3)	C(AsC[6a]CoC)(CC3)(H)2	C(AsC[6a]CoC)(CC3)(H)2	107.7000	0.000	1	107.7000	0.000	1	108.2228	1.118	4	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	As-4:C-4:H-1:H-1:	As-4:C-4:H-1:H-1:	C(CAsHH)3(CH3)	C(AsGaCC)(CC3)(H)2	C(AsGaCC)(CC3)(H)2	C(CAsHH)3(CH3)	C(AsGaCC)(CC3)(H)2	C(AsGaCC)(CC3)(H)2	108.3970	1.223	3	108.3970	1.495	3	108.2228	1.118	4	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCHN)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CCHN)(CH3)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	111.0380	0.020	2	111.0380	0.000	2	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	C(CC[6]HO)(CC3)(H)2	C(CC3)(CH3)(H)2	112.2980	0.701	2	112.2980	0.492	2	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CH3)2	C(CCHH)(CC3)(H)2	C(CHHN)(CC3)(H)2	C(CCHH)2(CH3)2	C(CCHH)(CC3)(H)2	C(CHHN)(CC3)(H)2	111.5860	0.000	1	111.5860	0.000	1	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	112.0418	1.723	4	112.0418	2.970	4	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CC3)(CH3)(H)2	112.7730	0.192	2	112.7730	0.037	2	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(CC3)(H)2	C(CCHH)(CC3)(H)2	112.8023	0.373	3	112.8023	0.139	3	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHP)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	109.9860	0.000	1	109.9860	0.000	1	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHS)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHS)2	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	108.1840	0.000	1	108.1840	0.000	1	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(CCHN)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)3(CCHN)	C(CC3)(CH3)(H)2	C(CC3)(CH3)(H)2	109.8917	1.468	3	109.8917	2.156	3	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)3(CH3)	C(CC[6]HH)(CC3)(H)2	C(CCHH)(CC3)(H)2	108.8390	0.000	1	108.8390	0.000	1	111.3531	2.786	20	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(CH3)2	C(CC3)(NH3)(H)2	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	C(CC3)(NH3)(H)2	C(CC3)(NH3)(H)2	103.5450	0.000	1	103.5450	0.000	1	108.1105	28.816	4	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)3(CHHO)	C(CC3)(NH3)(H)2	C(CC3)(NH3)(H)2	C(CHHN)3(CHHO)	C(CC3)(NH3)(H)2	C(CC3)(NH3)(H)2	109.6323	5.416	3	109.6323	29.328	3	108.1105	28.816	4	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C(CC[3]HH)4	C(C[3]C[3]2H)(CC3)(H)2	C(C[3]C[3]2H)(CC3)(H)2	C(CC[3]HH)4	C(C[3]C[3]2H)(CC3)(H)2	C(C[3]C[3]2H)(CC3)(H)2	109.4728	0.943	6	109.4728	0.889	6	109.4728	0.889	6	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2H)(CC3)(H)2	C(CCHO)(CC3)(H)2	C(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2H)(CC3)(H)2	C(CCHO)(CC3)(H)2	113.9085	0.214	2	113.9085	0.046	2	113.9085	0.046	2	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCCH)(CC3)(H)2	C(CC3)(NH3)(H)2	C(CHHN)2(CH3)2	C(NCCH)(CC3)(H)2	C(CC3)(NH3)(H)2	106.8250	0.942	2	106.8250	0.887	2	106.8250	0.887	2	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCHH)(CC3)(H)2	C(NCHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCHH)(CC3)(H)2	C(NCHH)(CC3)(H)2	106.7620	0.000	1	106.7620	0.000	1	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	112.0298	0.694	6	112.0298	0.482	6	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(NCoHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCoHH)(CC3)(H)2	C(NCoHH)(CC3)(H)2	110.8990	0.882	2	110.8990	0.779	2	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NCrHH)(CC3)(H)2	C(NCrHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NCrHH)(CC3)(H)2	C(NCrHH)(CC3)(H)2	110.8260	0.000	1	110.8260	0.000	1	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiCH)(CC3)(H)2	C(NNiCH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NNiCH)(CC3)(H)2	C(NNiCH)(CC3)(H)2	114.3380	0.501	2	114.3380	0.251	2	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NNiHH)(CC3)(H)2	C(NNiHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NNiHH)(CC3)(H)2	C(NNiHH)(CC3)(H)2	111.2650	0.042	2	111.2650	0.002	2	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(NPtHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NPtHH)(CC3)(H)2	C(NPtHH)(CC3)(H)2	111.1505	0.066	2	111.1505	0.004	2	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NRuHH)(CC3)(H)2	C(NRuHH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NRuHH)(CC3)(H)2	C(NRuHH)(CC3)(H)2	111.0520	0.000	1	111.0520	0.000	1	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)2	C(NZnCH)(CC3)(H)2	C(NZnCH)(CC3)(H)2	C(CHHN)2(CH3)2	C(NZnCH)(CC3)(H)2	C(NZnCH)(CC3)(H)2	112.1214	0.882	7	112.1214	0.777	7	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(NCoHH)(CC3)(H)2	C(CHHN)2(CHHS)(CH3)	C(NCoHH)(CC3)(H)2	C(NCoHH)(CC3)(H)2	110.3319	0.989	8	110.3319	0.979	8	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(NCCH)(CC3)(H)2	C(CHHN)3(CH3)	C(NCCH)(CC3)(H)2	C(NCCH)(CC3)(H)2	101.4740	0.000	1	101.4740	0.000	1	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Co2)(CC3)(H)2	C(NC[6a]Co2)(CC3)(H)2	C(CHHN)3(CH3)	C(NC[6a]Co2)(CC3)(H)2	C(NC[6a]Co2)(CC3)(H)2	112.3900	1.177	6	112.3900	1.385	6	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Fe2)(CC3)(H)2	C(NC[6a]Fe2)(CC3)(H)2	C(CHHN)3(CH3)	C(NC[6a]Fe2)(CC3)(H)2	C(NC[6a]Fe2)(CC3)(H)2	112.6284	0.895	33	112.6284	0.801	33	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NC[6a]Mn2)(CC3)(H)2	C(NC[6a]Mn2)(CC3)(H)2	C(CHHN)3(CH3)	C(NC[6a]Mn2)(CC3)(H)2	C(NC[6a]Mn2)(CC3)(H)2	113.5102	1.699	12	113.5102	2.888	12	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	C(CHHN)3(CH3)	C(NCoCH)(CC3)(H)2	C(NCoCH)(CC3)(H)2	111.3635	0.913	6	111.3635	0.834	6	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NReHH)(CC3)(H)2	C(NReHH)(CC3)(H)2	C(CHHN)3(CH3)	C(NReHH)(CC3)(H)2	C(NReHH)(CC3)(H)2	110.9007	0.744	3	110.9007	0.554	3	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(CH3)	C(NZnCH)(CC3)(H)2	C(NZnCH)(CC3)(H)2	C(CHHN)3(CH3)	C(NZnCH)(CC3)(H)2	C(NZnCH)(CC3)(H)2	112.3190	0.253	3	112.3190	0.064	3	112.0431	3.273	96	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHO)3	C(OCr3)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)(CHHO)3	C(OCr3)(CC3)(H)2	C(CC3)(CH3)(H)2	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OCrMo2)(CC3)(H)2	C(OCrMo2)(CC3)(H)2	C(CHHO)3(CH3)	C(OCrMo2)(CC3)(H)2	C(OCrMo2)(CC3)(H)2	112.2696	0.931	5	112.2696	0.867	5	112.7512	1.339	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(OCuMo2)(CC3)(H)2	C(CHHO)3(CH3)	C(OCuMo2)(CC3)(H)2	C(OCuMo2)(CC3)(H)2	112.2130	0.000	1	112.2130	0.000	1	112.7512	1.339	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OFe3)(CC3)(H)2	C(OFe3)(CC3)(H)2	C(CHHO)3(CH3)	C(OFe3)(CC3)(H)2	C(OFe3)(CC3)(H)2	114.4630	0.000	1	114.4630	0.000	1	112.7512	1.339	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	O-4:C-4:H-1:H-1:	O-4:C-4:H-1:H-1:	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(OMo2Ni)(CC3)(H)2	C(CHHO)3(CH3)	C(OMo2Ni)(CC3)(H)2	C(OMo2Ni)(CC3)(H)2	113.9860	0.000	1	113.9860	0.000	1	112.7512	1.339	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHP)3	C(PC[6a]2O)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)(CHHP)3	C(PC[6a]2O)(CC3)(H)2	C(CC3)(CH3)(H)2	108.9610	0.886	3	108.9610	0.784	3	108.9272	1.019	5	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CHHP)2	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(CH3)(H)2	C(CCHH)2(CHHP)2	C(PC[6a]2Ni)(CC3)(H)2	C(CC3)(CH3)(H)2	108.8765	1.580	2	108.8765	2.498	2	108.9272	1.019	5	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CCCH)2(CHHP)2	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	C(CCCH)2(CHHP)2	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	107.2700	0.000	1	107.2700	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	108.9730	0.000	1	108.9730	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(PC[6a]2Pt)(CC3)(H)2	C(CCHH)(CHHP)2(CH3)	C(PC[6a]2Pt)(CC3)(H)2	C(PC[6a]2Pt)(CC3)(H)2	108.7110	0.000	1	108.7110	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CCHH)(CHHP)3	C(PC[6a]2O)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	C(CCHH)(CHHP)3	C(PC[6a]2O)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	109.9803	1.999	3	109.9803	3.997	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CCHH)2(CHHP)2	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	C(CCHH)2(CHHP)2	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	111.3550	0.000	1	111.3550	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CC[6a]HH)(CHHP)3	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CC[6a]HH)(CHHP)3	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	110.9863	1.373	3	110.9863	1.885	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CHHO)(CHHP)2(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	111.1640	0.000	1	111.1640	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHO)(CHHP)3	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	C(CHHO)(CHHP)3	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	112.3907	0.617	3	112.3907	0.381	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)2(CH3)2	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	113.1770	0.471	5	113.1770	0.222	5	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	C(CHHP)2(CH3)2	C(PC[6a]2Pd)(CC3)(H)2	C(PC[6a]2Pd)(CC3)(H)2	110.1790	0.000	1	110.1790	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)2(CH3)2	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	113.6617	2.150	3	113.6617	4.621	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CH3)2	C(PC[6a]3)(CC3)(H)2	C(PC[6a]3)(CC3)(H)2	C(CHHP)2(CH3)2	C(PC[6a]3)(CC3)(H)2	C(PC[6a]3)(CC3)(H)2	112.2760	0.000	1	112.2760	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2Fe)(CC3)(H)2	113.2260	0.000	1	113.2260	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)2(CHHS)(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	113.8980	0.000	1	113.8980	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PCCW)(CC3)(H)2	C(PCCW)(CC3)(H)2	C(CHHP)3(CH3)	C(PCCW)(CC3)(H)2	C(PCCW)(CC3)(H)2	111.9857	0.698	3	111.9857	0.487	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Au)(CC3)(H)2	C(PC[6a]2Au)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Au)(CC3)(H)2	C(PC[6a]2Au)(CC3)(H)2	109.0910	2.979	3	109.0910	8.876	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2C)(CC3)(H)2	C(PC[6a]2C)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2C)(CC3)(H)2	C(PC[6a]2C)(CC3)(H)2	107.7720	1.075	3	107.7720	1.155	3	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Cl)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Cl)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	108.7950	2.058	2	108.7950	4.234	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Co)(CC3)(H)2	C(PC[6a]2Co)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Co)(CC3)(H)2	C(PC[6a]2Co)(CC3)(H)2	111.4637	1.072	12	111.4637	1.148	12	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(PC[6a]2Cu)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Cu)(CC3)(H)2	C(PC[6a]2Cu)(CC3)(H)2	112.5079	0.841	16	112.5079	0.707	16	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2Fe)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Fe)(CC3)(H)2	C(PC[6a]2Fe)(CC3)(H)2	111.7548	1.143	32	111.7548	1.307	32	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(PC[6a]2Ir)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(PC[6a]2Ir)(CC3)(H)2	112.1723	1.610	4	112.1723	2.591	4	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Ir)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	107.7935	1.347	2	107.7935	1.815	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2Mo)(CC3)(H)2	113.3665	0.035	2	113.3665	0.001	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PC[6a]2O)(CC3)(H)2	107.1545	1.479	2	107.1545	2.186	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PMoCC)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Mo)(CC3)(H)2	C(PMoCC)(CC3)(H)2	111.0595	0.810	2	111.0595	0.656	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	111.2158	1.313	6	111.2158	1.725	6	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2O)(CC3)(H)2	C(PC[6a]2W)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2O)(CC3)(H)2	C(PC[6a]2W)(CC3)(H)2	106.9670	1.109	2	106.9670	1.229	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Re)(CC3)(H)2	C(PC[6a]2Re)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Re)(CC3)(H)2	C(PC[6a]2Re)(CC3)(H)2	111.9246	0.797	21	111.9246	0.634	21	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2Ru)(CC3)(H)2	C(PC[6a]2Ru)(CC3)(H)2	111.6504	1.013	13	111.6504	1.027	13	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]2W)(CC3)(H)2	C(PC[6a]2W)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]2W)(CC3)(H)2	C(PC[6a]2W)(CC3)(H)2	113.0930	0.000	1	113.0930	0.000	1	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]C[6]Co)(CC3)(H)2	C(PC[6a]2Co)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]C[6]Co)(CC3)(H)2	C(PC[6a]2Co)(CC3)(H)2	112.5550	2.148	2	112.5550	4.615	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PC[6a]C[6]Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	C(CHHP)3(CH3)	C(PC[6a]C[6]Ni)(CC3)(H)2	C(PC[6a]2Ni)(CC3)(H)2	112.2160	1.745	2	112.2160	3.046	2	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PCrCC)(CC3)(H)2	C(PCrCC)(CC3)(H)2	C(CHHP)3(CH3)	C(PCrCC)(CC3)(H)2	C(PCrCC)(CC3)(H)2	111.4308	0.851	5	111.4308	0.725	5	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C(CHHP)3(CH3)	C(PMoCC)(CC3)(H)2	C(PMoCC)(CC3)(H)2	C(CHHP)3(CH3)	C(PMoCC)(CC3)(H)2	C(PMoCC)(CC3)(H)2	111.7512	0.847	6	111.7512	0.717	6	111.5138	2.853	167	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CCHH)(H)2	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CCHH)(H)2	C(CCCN)(CH3)(H)2	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(H)2	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(H)2	C(CCCN)(NH3)(H)2	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(CH3)(H)2	C(CCHH)(CHHN)2(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(CH3)(H)2	111.2930	0.276	2	111.2930	0.076	2	111.2930	0.076	2	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)2(CH3)(NH3)	C(CCCN)(NCHH)(H)2	C(CCCN)(NCHH)(H)2	115.6140	1.329	2	115.6140	1.767	2	115.6140	1.767	2	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	112.4270	0.141	2	112.4270	0.020	2	111.9518	2.085	13	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	C(NNiCH)(CCCN)(H)2	C(CHHN)2(CH3)(NH3)	C(NNiCH)(CCCN)(H)2	C(NNiCH)(CCCN)(H)2	114.3300	0.140	2	114.3300	0.020	2	111.9518	2.085	13	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(CHHN)3(NCHH)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	111.3177	1.095	9	111.3177	1.199	9	111.9518	2.085	13	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C(CC[5]2C)(CCHH)(H)2	C(CC[5]2C)(CCHH)(H)2	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C(CC[5]2C)(CCHH)(H)2	C(CC[5]2C)(CCHH)(H)2	112.6010	0.000	1	112.6010	0.000	1	111.0873	0.562	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]N[5]Eu)2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Eu)2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	111.2490	0.195	2	111.2490	0.038	2	111.0873	0.562	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(C[5]C[5]N[5]Mo)2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	C(C[5]C[5]N[5]Mo)2(CCHH)2	C(CC[5]2C)(CH3)(H)2	C(CC[5]2C)(CH3)(H)2	110.6280	0.219	4	110.6280	0.048	4	111.0873	0.562	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	C-4:O-4:H-1:H-1:	C-4:O-4:H-1:H-1:	C(NNiHH)(CHHO)3	C(CCCN)(ONi3)(H)2	C(CCCN)(ONi3)(H)2	C(NNiHH)(CHHO)3	C(CCCN)(ONi3)(H)2	C(CCCN)(ONi3)(H)2	112.5760	0.000	1	112.5760	0.000	1	112.5760	0.000	1	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NCdHH)(CHHN)2(CH3)	C(NCdCH)(CCCN)(H)2	C(NCdCH)(CCCN)(H)2	C(NCdHH)(CHHN)2(CH3)	C(NCdCH)(CCCN)(H)2	C(NCdCH)(CCCN)(H)2	112.7170	0.000	1	112.7170	0.000	1	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NCoHH)(CHHN)2(CH3)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	C(NCoHH)(CHHN)2(CH3)	C(NCoCH)(CCCN)(H)2	C(NCoCH)(CCCN)(H)2	112.7554	1.399	11	112.7554	1.956	11	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NCuHH)(CHHN)2(CH3)	C(NCuCH)(CCCN)(H)2	C(NCuCH)(CCCN)(H)2	C(NCuHH)(CHHN)2(CH3)	C(NCuCH)(CCCN)(H)2	C(NCuCH)(CCCN)(H)2	112.7680	0.000	1	112.7680	0.000	1	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NFeHH)(CHHN)2(CH3)	C(NFeCH)(CCCN)(H)2	C(NFeCH)(CCCN)(H)2	C(NFeHH)(CHHN)2(CH3)	C(NFeCH)(CCCN)(H)2	C(NFeCH)(CCCN)(H)2	111.3235	0.107	2	111.3235	0.011	2	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NNiHH)(CHHN)2(CH3)	C(NNiCH)(CCCN)(H)2	C(NNiCH)(CCCN)(H)2	C(NNiHH)(CHHN)2(CH3)	C(NNiCH)(CCCN)(H)2	C(NNiCH)(CCCN)(H)2	112.1160	0.000	1	112.1160	0.000	1	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C(NZnHH)(CHHN)2(CH3)	C(NZnCH)(CCCN)(H)2	C(NZnCH)(CCCN)(H)2	C(NZnHH)(CHHN)2(CH3)	C(NZnCH)(CCCN)(H)2	C(NZnCH)(CCCN)(H)2	111.5250	0.000	1	111.5250	0.000	1	112.4754	1.517	17	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(N[6]C[6]2Co)(CHHN)2(CH3)	C(CN[6]CC)(NCoCC)(H)2	C(CN[6]CC)(NCoCC)(H)2	C(N[6]C[6]2Co)(CHHN)2(CH3)	C(CN[6]CC)(NCoCC)(H)2	C(CN[6]CC)(NCoCC)(H)2	110.0855	0.395	4	110.0855	0.156	4	109.9779	0.177	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(N[6]C[6]2Cu)(CHHN)2(CH3)	C(CN[6]CC)(NCuCC)(H)2	C(CN[6]CC)(NCuCC)(H)2	C(N[6]C[6]2Cu)(CHHN)2(CH3)	C(CN[6]CC)(NCuCC)(H)2	C(CN[6]CC)(NCuCC)(H)2	109.9485	0.639	2	109.9485	0.408	2	109.9779	0.177	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	N[6]-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C(N[6]C[6]2Zn)(CHHN)2(CH3)	C(CN[6]CC)(NZnCC)(H)2	C(CN[6]CC)(NZnCC)(H)2	C(N[6]C[6]2Zn)(CHHN)2(CH3)	C(CN[6]CC)(NZnCC)(H)2	C(CN[6]CC)(NZnCC)(H)2	109.6060	0.000	1	109.6060	0.000	1	109.9779	0.177	7	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCCP)(CH3)(H)2	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)2(CH3)	C(CCCP)(CH3)(H)2	C(CCCP)(CH3)(H)2	110.0430	0.334	2	110.0430	0.111	2	110.2395	1.102	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PC[6a]AuC)(CCHH)3	C(CCCP)(CH3)(H)2	C(CCCP)(CH3)(H)2	C(PC[6a]AuC)(CCHH)3	C(CCCP)(CH3)(H)2	C(CCCP)(CH3)(H)2	110.3050	1.225	6	110.3050	1.500	6	110.2395	1.102	8	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	S-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	C(CCCS)(CHHO)(H)2	C(SC[6a]OO)(CCHH)2(CH3)	C(CCCS)(CCHH)(H)2	C(CCCS)(CHHO)(H)2	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	111.5445	3.662	375	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(H)	C(CCCH)2(CCHH)(CH3)	C(CCHH)(CC3)(H)2	C(CCHH)2(CC3)(H)	110.0560	0.000	2	110.0560	0.000	2	110.0560	0.000	2	109.6183	3.385	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CHHP)2	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	C(PC[6a]2Pd)(CC3)(H)2	C(CC3)(CH3)2(H)	109.3995	2.334	4	109.3995	5.449	4	109.3995	5.449	4	109.6183	3.385	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NC)(H)	C(CC3)(H)3	109.9453	1.782	18	109.9453	3.174	18	109.6659	3.982	36	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NP)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NP)(H)	C(CC3)(H)3	109.6097	2.396	3	109.6097	5.742	3	109.6659	3.982	36	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHO)(CC3)(NC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHO)(CC3)(NC)(H)	C(CC3)(H)3	109.3419	2.251	15	109.3419	5.068	15	109.6659	3.982	36	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CH3)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CC3)(CH3)(OC)(H)	C(CC3)(H)3	109.2395	5.303	2	109.2395	28.118	2	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	108.4905	0.746	2	108.4905	0.557	2	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	109.8945	2.774	2	109.8945	7.695	2	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(H)3	107.6715	0.244	2	107.6715	0.060	2	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCCH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCCH)(CC3)(OC)(H)	C(CC3)(H)3	109.6357	1.897	6	109.6357	3.600	6	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCCH)(CC3)(OH)(H)	C(CC3)(H)3	110.3183	3.155	3	110.3183	9.951	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	109.7761	2.365	21	109.7761	5.592	21	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCHH)(CC3)(OH)(H)	C(CC3)(H)3	109.5375	1.430	15	109.5375	2.044	15	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	109.9860	1.491	3	109.9860	2.223	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CCHO)(CC3)(OH)(H)	C(CC3)(H)3	109.7190	1.777	9	109.7190	3.159	9	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OC)(H)	C(CC3)(H)3	109.9150	3.226	3	109.9150	10.410	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC[6a]CH)(CC3)(OH)(H)	C(CC3)(H)3	109.8617	2.050	6	109.8617	4.204	6	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CC[6a]HN)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CC[6a]HN)(CC3)(OH)(H)	C(CC3)(H)3	109.9225	3.011	6	109.9225	9.069	6	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CHHN)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CHHN)(CC3)(OH)(H)	C(CC3)(H)3	109.7115	1.525	6	109.7115	2.326	6	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CHHP)(CC3)(OH)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CHHP)(CC3)(OH)(H)	C(CC3)(H)3	109.6772	1.810	6	109.6772	3.277	6	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CHHS)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CHHS)(CC3)(OC)(H)	C(CC3)(H)3	109.3887	1.263	18	109.3887	1.595	18	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5]2H)(CC3)(OZn)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5]2H)(CC3)(OZn)(H)	C(CC3)(H)3	109.9133	2.795	3	109.9133	7.814	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5]HH)(CC3)(OB)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5]HH)(CC3)(OB)(H)	C(CC3)(H)3	110.0583	2.646	3	110.0583	7.000	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5a]HO)(CC3)(OC)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5a]HO)(CC3)(OC)(H)	C(CC3)(H)3	109.6423	2.797	3	109.6423	7.821	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(CC3)(H)3	C(CCHO)(CH3)3	C(CN[5a]N[5]H)(CC3)(OAl)(H)	C(CC3)(H)3	109.4363	3.332	3	109.4363	11.104	3	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CC3)(H)3	110.4045	1.014	4	110.4045	1.028	4	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[5]HO)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(H)3	106.9423	1.886	4	106.9423	3.558	4	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(OC)(H)	C(CC3)(H)3	111.5060	0.000	1	111.5060	0.000	1	109.5952	3.992	131	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CCHO)(CH3)2	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[5]HO)(CCHO)(CH3)2	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CC3)(H)3	110.9043	4.974	4	110.9043	24.743	4	110.7661	12.670	7	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]HO)(CH3)3	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC3)(H)3	C(CC[5]HO)(CH3)3	C(C[5]C[5]2H)(CC3)(OSi)(H)	C(CC3)(H)3	110.5820	0.898	3	110.5820	0.806	3	110.7661	12.670	7	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6,6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6,6]HO)(CH3)3	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC3)(H)3	C(CC[6,6]HO)(CH3)3	C(C[6,6]C[6,6]2H)(CC3)(OC)(H)	C(CC3)(H)3	110.0943	1.595	3	110.0943	2.543	3	110.0943	2.543	3	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)3	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC3)(H)3	C(CC[6]HO)(CH3)3	C(C[6]C[6]2H)(CC3)(OH)(H)	C(CC3)(H)3	109.5649	1.839	9	109.5649	3.382	9	109.8595	2.628	15	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CC[6]HO)(CH3)3	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC3)(H)3	C(CC[6]HO)(CH3)3	C(C[6]C[6]2H)(CC3)(OSi)(H)	C(CC3)(H)3	110.3013	1.247	6	110.3013	1.556	6	109.8595	2.628	15	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Ge-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C(CGeCH)(CH3)3	C(GeC[6a]2O)(CC3)(CW)(H)	C(CC3)(H)3	C(CGeCH)(CH3)3	C(GeC[6a]2O)(CC3)(CW)(H)	C(CC3)(H)3	110.1220	2.377	3	110.1220	5.652	3	110.1220	5.652	3	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Si-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CSiHO)(CH3)3	C(SiSi2N)(CC3)(OSi)(H)	C(CC3)(H)3	C(CSiHO)(CH3)3	C(SiSi2N)(CC3)(OSi)(H)	C(CC3)(H)3	109.9680	1.335	3	109.9680	1.781	3	109.7462	1.317	6	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Si-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(CSiHO)(CH3)3	C(SiSi2O)(CC3)(OSi)(H)	C(CC3)(H)3	C(CSiHO)(CH3)3	C(SiSi2O)(CC3)(OSi)(H)	C(CC3)(H)3	109.5243	1.167	3	109.5243	1.363	3	109.7462	1.317	6	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCCH)(OC)(H)	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCCH)(OC)(H)	C(CC[4]CC)(H)3	110.7947	2.452	4	110.7947	6.014	4	110.0498	5.017	10	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCCH)(OH)(H)	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCCH)(OH)(H)	C(CC[4]CC)(H)3	109.7995	3.509	2	109.7995	12.316	2	110.0498	5.017	10	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCHH)(OC)(H)	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CCHH)(OC)(H)	C(CC[4]CC)(H)3	109.5310	2.042	2	109.5310	4.170	2	110.0498	5.017	10	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CH3)(OC)(H)	C(CC[4]CC)(H)3	C(C[4]C[4,6a]C[4]O)(CCHO)(CH3)2	C(CC[4]CC)(CH3)(OC)(H)	C(CC[4]CC)(H)3	109.3290	2.589	2	109.3290	6.705	2	110.0498	5.017	10	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CC[5]CC)(CCCH)(OC)(H)	C(CC[5]CC)(H)3	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C(CC[5]CC)(CCCH)(OC)(H)	C(CC[5]CC)(H)3	110.9963	1.282	7	110.9963	1.643	7	110.9963	1.643	7	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CC[6]CC)(CCCH)(OC)(H)	C(CC[6]CC)(H)3	C(C[6]C[6]O[6]H)(CCHO)(CH3)2	C(CC[6]CC)(CCCH)(OC)(H)	C(CC[6]CC)(H)3	110.0958	0.411	4	110.0958	0.169	4	109.1711	1.593	8	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CC[6]CC)(CCHH)(OSi)(H)	C(CC[6]CC)(H)3	C(C[6]S[6]2C)(CCHO)(CH3)2	C(CC[6]CC)(CCHH)(OSi)(H)	C(CC[6]CC)(H)3	108.2465	1.126	4	108.2465	1.268	4	109.1711	1.593	8	109.7264	3.939	226	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:O-2:H-1:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CCHH)(CC3)(OC)(H)	C(CC3)(OH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CCHH)(CC3)(OC)(H)	C(CC3)(OH)(H)2	103.3660	0.222	2	103.3660	0.049	2	103.3660	0.049	2	103.3660	0.049	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	114.6750	0.000	1	114.6750	0.000	1	109.8773	12.396	4	109.8773	12.396	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OH)(H)	C(CC3)(CCH)(H)2	C(CCHH)(CCHO)(CH3)2	C(CCHO)(CC3)(OH)(H)	C(CC3)(CCH)(H)2	110.3570	0.000	1	110.3570	0.000	1	109.8773	12.396	4	109.8773	12.396	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-3:H-1:H-1:	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CCHH)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	C(CC[5]CC)(CCHH)(CCHO)(CHHO)	C(CCHH)(CC3)(OC)(H)	C(CC3)(CCH)(H)2	107.2385	0.115	2	107.2385	0.013	2	109.8773	12.396	4	109.8773	12.396	4	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CH3)2	C(CC3)(CH3)(OC)(H)	C(CCHH)(CC3)(H)2	C(CCHH)(CCHO)(CH3)2	C(CC3)(CH3)(OC)(H)	C(CCHH)(CC3)(H)2	110.6170	0.000	1	110.6170	0.000	1	110.7580	0.495	6	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(CH3)(H)2	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC3)(CH3)(H)2	110.1865	0.943	2	110.1865	0.888	2	110.7580	0.495	6	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[6]HO)(CC3)(H)2	C(CCHH)2(CCHO)(CH3)	C(CC[5,6]CH)(CC3)(OH)(H)	C(CC[6]HO)(CC3)(H)2	111.4320	0.048	2	111.4320	0.002	2	110.7580	0.495	6	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CC3)(H)2	C(CC[6]HH)(CCHH)(CCHO)(CH3)	C(CCHH)(CC3)(OC)(H)	C(CCHH)(CC3)(H)2	110.6940	0.000	1	110.6940	0.000	1	110.7580	0.495	6	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	C(CCCN)(CHHO)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	C(CCCN)(CHHO)(H)2	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	C(CCCN)(NH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(CCCN)(CHHO)(OH)(H)	C(CCCN)(NH3)(H)2	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	111.1974	1.838	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CCHH)(CC3)(OSi)(H)	C(CCHO)2(CH3)2	C(CCHH)(CC3)(OSi)(H)	C(CCHH)(CC3)(OSi)(H)	108.3560	0.000	1	108.3560	0.000	1	108.3560	0.000	1	111.8367	9.561	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:1:	4:4:2:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C(CC[5]HO)(CCHO)(CH3)2	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CCHO)(CC3)(OC)(H)	C(CC[5]HO)(CCHO)(CH3)2	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C(CCHO)(CC3)(OC)(H)	113.5770	0.974	2	113.5770	0.949	2	113.5770	0.949	2	111.8367	9.561	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-2:C-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(OCr)(CN)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(OCr)(CN)	C(CC3)(H)3	111.4668	3.651	6	111.4668	13.333	6	111.4668	13.333	6	111.0380	8.772	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:2:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[3]-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C(CC[3]CO)(CH3)3	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC3)(H)3	C(CC[3]CO)(CH3)3	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC3)(H)3	110.1803	0.319	3	110.1803	0.102	3	110.1803	0.102	3	111.0380	8.772	9	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CCCH)(CC3)(COO)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CCCH)(CC3)(COO)(H)	C(CC3)(H)3	110.4964	3.371	18	110.4964	11.364	18	110.4309	7.858	35	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CCHN)(CC3)(CCH)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CCHN)(CC3)(CCH)(H)	C(CC3)(H)3	110.2047	3.018	3	110.2047	9.107	3	110.4309	7.858	35	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[5]HH)(CC3)(CCH)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[5]HH)(CC3)(CCH)(H)	C(CC3)(H)3	110.2233	1.901	12	110.2233	3.615	12	110.4309	7.858	35	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CHHO)(CH3)2	C(CCHH)(CC3)(CCC)(H)	C(CC3)(H)3	C(CCCH)(CHHO)(CH3)2	C(CCHH)(CC3)(CCC)(H)	C(CC3)(H)3	111.4265	3.644	2	111.4265	13.277	2	110.4309	7.858	35	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CCHN)(CH3)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(CC3)(H)3	C(CCHH)(CCHN)(CH3)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(CC3)(H)3	111.4155	1.240	2	111.4155	1.537	2	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NCC)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NCC)(H)	C(CC3)(H)3	110.4316	2.037	23	110.4316	4.151	23	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NCH)(H)	C(CC3)(H)3	109.7244	1.708	36	109.7244	2.917	36	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NHP)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NHP)(H)	C(CC3)(H)3	109.8603	1.269	6	109.8603	1.611	6	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CCHH)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CCHH)(CC3)(NHS)(H)	C(CC3)(H)3	109.8179	1.273	12	109.8179	1.621	12	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CCHN)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CCHN)(CC3)(NHS)(H)	C(CC3)(H)3	110.5927	1.882	9	110.5927	3.542	9	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CCHS)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CCHS)(CC3)(NHS)(H)	C(CC3)(H)3	110.0327	1.867	3	110.0327	3.486	3	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC[6a]HH)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC[6a]HH)(CC3)(NHS)(H)	C(CC3)(H)3	109.7493	1.192	3	109.7493	1.421	3	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC[6a]HO)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC[6a]HO)(CC3)(NCH)(H)	C(CC3)(H)3	109.9157	2.630	3	109.9157	6.919	3	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHN)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHN)(CC3)(NCH)(H)	C(CC3)(H)3	109.8967	1.400	9	109.8967	1.961	9	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHO)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHO)(CC3)(NCH)(H)	C(CC3)(H)3	109.7590	2.247	9	109.7590	5.049	9	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHP)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHP)(CC3)(NCH)(H)	C(CC3)(H)3	109.7753	1.754	3	109.7753	3.077	3	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHP)(CC3)(NHS)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHP)(CC3)(NHS)(H)	C(CC3)(H)3	109.9872	1.002	6	109.9872	1.004	6	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CN[5]HH)(CC3)(NCH)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CN[5]HH)(CC3)(NCH)(H)	C(CC3)(H)3	109.7017	1.905	3	109.7017	3.627	3	109.9960	2.883	127	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)3	C(CC3)(PO3)(NCH)(H)	C(CC3)(H)3	C(CHNP)(CH3)3	C(CC3)(PO3)(NCH)(H)	C(CC3)(H)3	109.6247	2.291	3	109.6247	5.248	3	110.8727	3.899	57	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CHNP)(CH3)3	C(CC3)(PO3)(NCO)(H)	C(CC3)(H)3	C(CHNP)(CH3)3	C(CC3)(PO3)(NCO)(H)	C(CC3)(H)3	110.9420	1.957	54	110.9420	3.828	54	110.8727	3.899	57	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[3]-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(CC[3]CH)(CCHH)(CH3)2	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CC3)(H)3	C(CC[3]CH)(CCHH)(CH3)2	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CC3)(H)3	108.6485	0.889	8	108.6485	0.790	8	108.6485	0.790	8	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	Si-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C(CSiHN)(CH3)3	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CC3)(H)3	C(CSiHN)(CH3)3	C(SiC[6a]CC)(CC3)(NHS)(H)	C(CC3)(H)3	109.9173	1.830	3	109.9173	3.349	3	109.9173	3.349	3	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CC[5]CC)(CCHH)(CCO)(H)	C(CC[5]CC)(H)3	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C(CC[5]CC)(CCHH)(CCO)(H)	C(CC[5]CC)(H)3	109.5745	3.019	2	109.5745	9.112	2	109.5745	9.112	2	110.2259	3.997	232	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:H-1:	C-4:O-2:H-1:H-1:	C(CCCH)(CHHO)(CH3)2	C(CCHH)(CC3)(CCC)(H)	C(CC3)(OC)(H)2	C(CCCH)(CHHO)(CH3)2	C(CCHH)(CC3)(CCC)(H)	C(CC3)(OC)(H)2	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C(CCHH)(CCHN)(CH3)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(CC3)(CCO)(H)2	C(CCHH)(CCHN)(CH3)2	C(CC[5a]HH)(CC3)(NOO)(H)	C(CC3)(CCO)(H)2	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[3]-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CC[3]CH)(CCHH)(CH3)2	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CCHH)(CC3)(H)2	C(CC[3]CH)(CCHH)(CH3)2	C(C[3]C[3]2H)(CC3)(CCO)(H)	C(CCHH)(CC3)(H)2	112.9232	0.684	4	112.9232	0.468	4	112.9232	0.468	4	112.1173	1.973	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCHH)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CCHH)(H)2	111.0840	0.000	1	111.0840	0.000	1	110.5055	0.669	2	112.1173	1.973	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C-4:C-4:C-4:N-4:	C-4:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CH3)(H)2	C(CCCH)(CCHH)2(NH3)	C(CCCN)(CH3)(CNO)(H)	C(CCCN)(CH3)(H)2	109.9270	0.000	1	109.9270	0.000	1	110.5055	0.669	2	112.1173	1.973	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)(CH3)(CCH)(OH)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)(CH3)(CCH)(OH)	C(CC3)(H)3	109.6457	1.761	3	109.6457	3.100	3	111.3037	9.671	45	111.3037	9.671	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCo)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCo)	C(CC3)(H)3	111.4941	3.055	12	111.4941	9.330	12	111.3037	9.671	45	111.3037	9.671	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCr)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OCr)	C(CC3)(H)3	111.4283	3.596	6	111.4283	12.930	6	111.3037	9.671	45	111.3037	9.671	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CHN)(OMn)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(OMn)	C(CC3)(H)3	111.3306	3.349	12	111.3306	11.213	12	111.3037	9.671	45	111.3037	9.671	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CHN)(ONi)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CHN)(ONi)	C(CC3)(H)3	111.4386	3.299	12	111.4386	10.883	12	111.3037	9.671	45	111.3037	9.671	45	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-3:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC[6]HH)2(OCr2)(CC3)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC[6]HH)2(OCr2)(CC3)	C(CC3)(H)3	111.3650	0.294	3	111.3650	0.086	3	111.2063	0.430	6	111.2063	0.430	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:3:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:O-3:C-4:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC[6a]HH)(CC[6]HH)(OCr2)(CC3)	C(CC3)(H)3	111.0477	0.956	3	111.0477	0.913	3	111.2063	0.430	6	111.2063	0.430	6	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CCCH)(CCHH)(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CCCH)(CCHH)(CC3)(H)	C(CC3)(H)3	110.8255	1.513	6	110.8255	2.288	6	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CCHH)2(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CCHH)2(CC3)(H)	C(CC3)(H)3	110.6922	1.169	36	110.6922	1.365	36	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[5a]C[6a]H)(CC3)(CH3)(H)	C(CC3)(H)3	110.9173	3.043	3	110.9173	9.258	3	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[6]HH)(CCHH)(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[6]HH)(CCHH)(CC3)(H)	C(CC3)(H)3	110.1492	1.379	9	110.1492	1.901	9	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)(CH3)3	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CC3)(H)3	C(CCCH)(CH3)3	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CC3)(H)3	111.3177	3.860	3	111.3177	14.902	3	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCCH)2(CCHH)(CH3)	C(CCHH)2(CC3)(H)	C(CC3)(H)3	C(CCCH)2(CCHH)(CH3)	C(CCHH)2(CC3)(H)	C(CC3)(H)3	110.4980	0.000	2	110.4980	0.000	2	110.6596	2.187	59	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(CC3)(H)3	113.0137	5.855	6	113.0137	34.278	6	112.0338	24.676	9	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHN)(CH3)3	C(CHHP)(CC3)(NH3)(H)	C(CC3)(H)3	C(CCHN)(CH3)3	C(CHHP)(CC3)(NH3)(H)	C(CC3)(H)3	110.0740	2.090	3	110.0740	4.368	3	112.0338	24.676	9	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CCHP)(CH3)3	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CC3)(H)3	C(CCHP)(CH3)3	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CC3)(H)3	110.4530	2.862	3	110.4530	8.190	3	110.4530	8.190	3	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Fe)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	111.1603	3.673	6	111.1603	13.490	6	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Li)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	111.0913	1.765	3	111.0913	3.117	3	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Mg)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	110.6254	3.080	9	110.6254	9.486	9	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Ru)(CC[5]CH)(CC3)(H)	C(CC3)(H)3	111.1955	3.228	6	111.1955	10.420	6	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Y)(CN[5]2H)(CC3)(H)	C(CC3)(H)3	111.1050	2.029	3	111.1050	4.116	3	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Zr)(CC3)(CH3)(H)	C(CC3)(H)3	110.1867	1.168	15	110.1867	1.365	15	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC3)(H)3	C(CC[5]CH)(CH3)3	C(C[5]C[5]2Zr)(CCHH)(CC3)(H)	C(CC3)(H)3	110.3653	1.656	3	110.3653	2.742	3	110.6722	5.511	45	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CC[5]CC)(CH3)2(H)	C(CC[5]CC)(H)3	C(C[5]C[5]2H)(CCCH)(CH3)2	C(CC[5]CC)(CH3)2(H)	C(CC[5]CC)(H)3	110.3745	0.639	4	110.3745	0.408	4	110.3745	0.408	4	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	S-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(CCCS)(H)3	C(SC[6a]OO)(CC[5]CH)(CH3)2	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C(CCCS)(H)3	114.1710	1.006	2	114.1710	1.011	2	114.1710	1.011	2	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	C(CSiCC)(H)3	C(SiCCN)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	C(CSiCC)(H)3	109.3305	2.910	2	109.3305	8.467	2	109.8805	4.566	6	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	Si-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	C(CSiCC)(H)3	C(SiCCO)(CCCH)(CH3)2	C(CSiCC)(CH3)2(H)	C(CSiCC)(H)3	110.1555	2.118	4	110.1555	4.486	4	109.8805	4.566	6	110.7652	5.138	128	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:3:3:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:C-3:C-3:H-1:	C(CCCH)2(CCHH)(CH3)	C(CCHH)2(CC3)(H)	C(CC3)(CCO)2(H)	C(CCCH)2(CCHH)(CH3)	C(CCHH)2(CC3)(H)	C(CC3)(CCO)2(H)	109.5390	0.000	2	109.5390	0.000	2	109.5390	0.000	2	109.5390	0.000	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CHHP)2	C(CC3)(CH3)2(H)	C(CC3)(CH3)2(H)	C(CCCH)2(CHHP)2	C(CC3)(CH3)2(H)	C(CC3)(CH3)2(H)	111.7290	0.000	1	111.7290	0.000	1	112.1843	0.171	3	112.1843	0.171	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C(CCCH)2(CHHS)2	C(CC3)(CH3)2(H)	C(CC3)(CH3)2(H)	C(CCCH)2(CHHS)2	C(CC3)(CH3)2(H)	C(CC3)(CH3)2(H)	112.4120	0.175	2	112.4120	0.031	2	112.1843	0.171	3	112.1843	0.171	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CH3)(OCr)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OCr)	C(CC3)(H)3	112.0213	2.068	53	112.0213	4.277	53	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CH3)(OFe)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OFe)	C(CC3)(H)3	112.0523	2.458	100	112.0523	6.042	100	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CH3)(OMn)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OMn)	C(CC3)(H)3	112.1391	2.931	18	112.1391	8.593	18	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CC3)2(CH3)(OV)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CC3)2(CH3)(OV)	C(CC3)(H)3	112.0668	2.312	18	112.0668	5.345	18	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CN[5]HH)(CCHH)(CC3)(OH)	C(CC3)(H)3	110.8427	1.100	6	110.8427	1.209	6	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:2:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C(CCCO)(CH3)3	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC3)(H)3	C(CCCO)(CH3)3	C(CN[5a]HH)(CCHH)(CC3)(OH)	C(CC3)(H)3	111.2597	0.634	3	111.2597	0.402	3	112.0045	5.456	198	112.0045	5.456	198	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(CCHH)(CC3)(CH3)2	C(CCHH)(CC3)(CH3)(CCH)	C(CC3)(H)3	C(CCHH)(CC3)(CH3)2	C(CCHH)(CC3)(CH3)(CCH)	C(CC3)(H)3	110.2210	1.877	2	110.2210	3.522	2	110.2210	3.522	2	110.9034	1.298	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(CH3)2(CCN)	C(CC[5]CC)(H)3	C(C[5]C[5]2Ti)(CC3)(CH3)2	C(CC[5]CC)(CH3)2(CCN)	C(CC[5]CC)(H)3	110.4480	0.330	2	110.4480	0.109	2	111.1308	0.864	6	110.9034	1.298	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:3:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC[5]CC)(CH3)2(CCN)	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC3)(CH3)2	C(CC[5]CC)(CH3)2(CCN)	C(CC[5]CC)(H)3	111.4723	0.969	4	111.4723	0.938	4	111.1308	0.864	6	110.9034	1.298	8	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:3:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C(CCHH)(CC3)(CH3)2	C(CCHH)(CC3)(CH3)(CCH)	C(CC3)(CCH)(H)2	C(CCHH)(CC3)(CH3)2	C(CCHH)(CC3)(CH3)(CCH)	C(CC3)(CCH)(H)2	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CBrCH)(CC3)(CH3)2	C(CC3)(CH3)3	C(CC3)(H)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(CH3)3	C(CC3)(H)3	110.4100	0.445	2	110.4100	0.198	2	111.2720	1.975	5	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(CC3)(CH3)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(H)3	C(CC3)(CH3)3	C(CBrCH)(CC3)(CH3)2	C(CC3)(H)3	111.8467	1.616	3	111.8467	2.612	3	111.2720	1.975	5	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(C[5]C[5]2Cr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	112.4935	0.644	42	112.4935	0.415	42	112.2945	0.643	74	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(C[5]C[5]2Mo)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	112.5653	0.887	16	112.5653	0.786	16	112.2945	0.643	74	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(C[5]C[5]2Ru)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	111.3018	0.504	12	111.3018	0.254	12	112.2945	0.643	74	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(C[5]C[5]2Zr)(CC[5]CC)(CH3)2	C(CC[5]CC)(H)3	112.0995	0.414	4	112.0995	0.171	4	112.2945	0.643	74	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NCoHH)(CCCN)(CH3)2	C(NCoHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(NCoHH)(CCCN)(CH3)2	C(NCoHH)(CCCN)(CH3)2	C(CCCN)(H)3	112.6227	0.068	3	112.6227	0.005	3	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NNiHH)(CCCN)(CH3)2	C(NNiHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(NNiHH)(CCCN)(CH3)2	C(NNiHH)(CCCN)(CH3)2	C(CCCN)(H)3	111.7947	2.965	4	111.7947	8.790	4	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NOsHH)(CCCN)(CH3)2	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(NOsHH)(CCCN)(CH3)2	C(NOsHH)(CCCN)(CH3)2	C(CCCN)(H)3	112.3994	0.524	7	112.3994	0.274	7	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NPtHO)(CCCN)(CH3)2	C(NPtHO)(CCCN)(CH3)2	C(CCCN)(H)3	C(NPtHO)(CCCN)(CH3)2	C(NPtHO)(CCCN)(CH3)2	C(CCCN)(H)3	112.7346	0.521	7	112.7346	0.271	7	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NRuCH)(CCCN)(CH3)2	C(NRuCH)(CCCN)(CH3)2	C(CCCN)(H)3	C(NRuCH)(CCCN)(CH3)2	C(NRuCH)(CCCN)(CH3)2	C(CCCN)(H)3	111.8725	1.343	4	111.8725	1.803	4	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C(NRuHH)(CCCN)(CH3)2	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	C(NRuHH)(CCCN)(CH3)2	C(NRuHH)(CCCN)(CH3)2	C(CCCN)(H)3	112.2631	0.510	16	112.2631	0.260	16	112.3094	1.061	41	112.2570	0.860	120	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	B-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CBHH)(CH3)3	C(BC[5]LiHH)(CC3)(H)2	C(CC3)(H)3	C(CBHH)(CH3)3	C(BC[5]LiHH)(CC3)(H)2	C(CC3)(H)3	110.3440	0.536	3	110.3440	0.288	3	110.3440	0.288	3	110.0122	3.605	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCHH)(CH3)3	C(CAl4)(CC3)(H)2	C(CC3)(H)3	C(CCHH)(CH3)3	C(CAl4)(CC3)(H)2	C(CC3)(H)3	110.0386	1.996	25	110.0386	3.983	25	110.0386	3.983	25	110.0122	3.605	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:4:4:4:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	P-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CHHP)(CH3)3	C(PC[5]Li3)(CC3)(H)2	C(CC3)(H)3	C(CHHP)(CH3)3	C(PC[5]Li3)(CC3)(H)2	C(CC3)(H)3	109.4597	2.315	3	109.4597	5.359	3	109.4597	5.359	3	110.0122	3.605	31	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:5:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]2Th)(CThH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]2Th)(CThH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	109.8750	0.000	1	109.8750	0.000	1	108.9710	0.638	3	109.1096	0.359	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:5:4:4:	4:1:1:1:	4:1:1:1:	C[5]-4:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5]C[5]P[5]Tm)(CTmH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	C(C[5]C[5]P[5]Tm)(CTmH3)(CH3)2	C(CC[5]CC)(H)3	C(CC[5]CC)(H)3	108.5190	0.223	2	108.5190	0.050	2	108.9710	0.638	3	109.1096	0.359	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	4:5:4:4:	4:1:1:1:	4:1:1:1:	N-4:C-5:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi2Si)(CLiH3)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi2Si)(CLiH3)(CH3)2	C(CCCN)(H)3	C(CCCN)(H)3	109.3175	0.120	2	109.3175	0.014	2	109.3175	0.014	2	109.1096	0.359	5	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	106.1210	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	3:4:1:1:	4:4:4:1:	N-5:C-4:C-4:H-1:	O-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(NLi3C)(CCCH)(CHHO)(H)	C(OLiSi)(CCHN)(H)2	C(CCHN)(CH3)2(H)	C(NLi3C)(CCCH)(CHHO)(H)	C(OLiSi)(CCHN)(H)2	C(CCHN)(CH3)2(H)	112.4685	0.152	2	112.4685	0.023	2	112.4685	0.023	2	112.4685	0.023	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlHHY)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CAlHHY)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.5640	0.000	1	109.5640	0.000	1	110.1959	2.999	8	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CAlLiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CAlLiHH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	109.4844	0.275	5	109.4844	0.076	5	110.1959	2.999	8	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CTiCCH)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	110.1710	0.000	1	110.1710	0.000	1	110.1959	2.999	8	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CZrCHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	C(CZrCHN)(CH3)2(H)	C(CCCH)(H)3	C(CCCH)(H)3	114.4100	0.000	1	114.4100	0.000	1	110.1959	2.999	8	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C(CC[3x3,4,3x5,14x6]CH)(H)3	C(CC[3x3,4,3x5,14x6]CH)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)2(H)	C(CC[3x3,4,3x5,14x6]CH)(H)3	C(CC[3x3,4,3x5,14x6]CH)(H)3	110.2640	0.438	2	110.2640	0.192	2	110.2640	0.192	2	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	C[5,6]-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	C(C[5,6]C[5,6]C[6]N[5]Al)(CH3)2(H)	C(CC[5,6]CH)(H)3	C(CC[5,6]CH)(H)3	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCOV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCCOV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8750	2.065	2	110.8750	4.263	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]IrCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]IrCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	112.1880	0.578	2	112.1880	0.335	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]RhCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]RhCS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.8250	0.569	4	111.8250	0.324	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]SeZrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]SeZrC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6670	0.801	4	110.6670	0.642	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]ZrCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PC[5]ZrCW)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	108.3895	1.596	2	108.3895	2.547	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCeCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCeCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1156	0.923	20	111.1156	0.851	20	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCo2CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCo2CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4299	1.317	8	110.4299	1.734	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCCU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoCCU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8930	0.383	2	110.8930	0.147	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9393	0.713	6	109.9393	0.508	6	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoThCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoThCC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5860	0.208	2	111.5860	0.043	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.1691	0.463	8	110.1691	0.215	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCoZrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCoZrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.7734	1.120	22	109.7734	1.254	22	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrIrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCrIrCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.6665	0.716	4	110.6665	0.513	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCrRhCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCrRhCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8667	0.864	4	110.8667	0.747	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PCuTiCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.5545	0.992	4	110.5545	0.985	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFe2CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PFe2CN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.4381	1.308	10	110.4381	1.711	10	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PFeCNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PFeCNN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2127	0.534	4	111.2127	0.285	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNi2CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNi2CC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.4925	6.380	2	109.4925	40.707	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PNiCNV)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	109.9638	0.696	4	109.9638	0.485	4	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPbCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPbCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2687	1.583	8	111.2687	2.505	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCNS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdCNS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.8430	0.000	1	110.8430	0.000	1	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCNU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PPdCNU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2858	0.610	8	111.2858	0.372	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1225	1.358	2	111.1225	1.845	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRuCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PRuCNO)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.1365	0.134	2	111.1365	0.018	2	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2CU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSe2CU)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.3497	0.694	14	111.3497	0.481	14	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2ThC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSe2ThC)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.5884	1.017	8	111.5884	1.034	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSnCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PSnCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.2512	0.747	10	111.2512	0.559	10	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PThCSS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PThCSS)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4829	0.771	7	111.4829	0.594	7	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PTiCNP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PTiCNP)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	110.7745	0.813	8	110.7745	0.661	8	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PZnCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	C(PZnCCN)(CH3)2(H)	C(CCHP)(H)3	C(CCHP)(H)3	111.4262	0.486	6	111.4262	0.236	6	110.8035	1.435	188	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiMgCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiMgCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.1407	0.583	11	109.1407	0.340	11	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiSnCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiSnCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	110.3503	0.859	4	110.3503	0.739	4	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiThCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiThCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.7719	1.163	15	109.7719	1.353	15	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiTmCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiTmCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	108.8359	0.937	9	108.8359	0.879	9	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiYbCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiYbCCN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	109.0760	1.037	10	109.0760	1.075	10	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiZrCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	C(SiZrCNN)(CH3)2(H)	C(CSiCH)(H)3	C(CSiCH)(H)3	113.1640	4.138	2	113.1640	17.123	2	109.5125	1.928	51	110.5108	1.827	250	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:2:1:1:	4:1:1:1:	Si-5:C-4:C-4:H-1:	C-4:H-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiThCCN)(CH3)2(H)	C(CSiCH)(HTh)(H)2	C(CSiCH)(H)3	C(SiThCCN)(CH3)2(H)	C(CSiCH)(HTh)(H)2	C(CSiCH)(H)3	108.7905	0.240	2	108.7905	0.057	2	108.7905	0.057	2	108.7905	0.057	2	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:1:	4:4:1:1:	4:3:1:1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCHH)(CHHN)(H)	C(CC[3x3,4,3x5,14x6]CH)(CCHH)(H)2	C(CC[3x3,4,3x5,14x6]CH)(NZrN)(H)2	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:3:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:O-3:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCCOV)(CH3)2(OVV)	C(CCOP)(H)3	C(CCOP)(H)3	C(PCCOV)(CH3)2(OVV)	C(CCOP)(H)3	C(CCOP)(H)3	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	As[5,5]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	C(CAs[5,5]CC)(H)3	C(CAs[5,5]CC)(H)3	C(As[5,5]C[5,6a]2O[5]2)(CH3)3	C(CAs[5,5]CC)(H)3	C(CAs[5,5]CC)(H)3	110.6063	1.511	6	110.6063	2.284	6	110.6063	2.284	6	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CC[5]TiHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CC[5]TiHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	108.9799	1.225	9	108.9799	1.500	9	108.5693	2.607	38	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCeHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCeHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.4952	0.489	6	109.4952	0.239	6	108.5693	2.607	38	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CNdHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CNdHHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.5220	0.591	3	109.5220	0.349	3	108.5693	2.607	38	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTaHHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTaHHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	109.1221	1.208	9	109.1221	1.460	9	108.5693	2.607	38	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CTiCHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CTiCHN)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	107.0162	1.795	11	107.0162	3.222	11	108.5693	2.607	38	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(COsH3)(POsCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(COsH3)(POsCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	110.2530	0.000	1	110.2530	0.000	1	110.0000	0.617	3	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C-5:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CRuH3)(PRuCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	C(CRuH3)(PRuCC)(CH3)2	C(CCCP)(H)3	C(CCCP)(H)3	109.8735	1.067	2	109.8735	1.139	2	110.0000	0.617	3	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)3	C(CC[3x3,4,3x5,14x6]CC)(H)3	C(CC[3x3,4,3x5,14x6]CC)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CH3)3	C(CC[3x3,4,3x5,14x6]CC)(H)3	C(CC[3x3,4,3x5,14x6]CC)(H)3	108.0832	0.586	9	108.0832	0.344	9	108.0832	0.344	9	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[4]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(CH3)2	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[4]C[4]2H)(CH3)2	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	C(CC[3x3,4,3x5,14x6]C[4]C)(H)3	108.1625	0.562	2	108.1625	0.316	2	108.1625	0.316	2	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	105.1015	1.959	2	105.1015	3.839	2	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Fe)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	110.1700	1.372	2	110.1700	1.882	2	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	107.7842	0.505	5	107.7842	0.255	5	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ta)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ta)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	106.6743	0.574	4	106.6743	0.329	4	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ti)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Ti)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	106.8297	0.310	3	106.8297	0.096	3	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Zr)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5]2Zr)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	107.7255	0.354	4	107.7255	0.125	4	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x3,4,3x5,14x6]-5:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]C[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2)(C[5]C[5]2Ru)(CH3)2	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	C(CC[3x3,4,3x5,14x6]C[5]C)(H)3	107.2630	0.000	1	107.2630	0.000	1	107.3721	1.923	21	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(GaLiC3)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	C(GaLiC3)(CH3)3	C(CGaCC)(H)3	C(CGaCC)(H)3	108.1948	1.619	6	108.1948	2.620	6	108.1948	2.620	6	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Ge[3,3]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	C(CGe[3,3]CC)(H)3	C(CGe[3,3]CC)(H)3	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	C(CGe[3,3]CC)(H)3	C(CGe[3,3]CC)(H)3	110.3023	0.339	3	110.3023	0.115	3	110.3023	0.115	3	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	N-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi3P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi3P)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	108.0537	0.336	9	108.0537	0.113	9	108.5607	0.665	18	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	N-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(NLi3Sb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	C(NLi3Sb)(CH3)3	C(CCCN)(H)3	C(CCCN)(H)3	109.0677	0.849	9	109.0677	0.721	9	108.5607	0.665	18	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	O-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(OLi4)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	C(OLi4)(CH3)3	C(CCCO)(H)3	C(CCCO)(H)3	109.9102	1.568	18	109.9102	2.458	18	109.9102	2.458	18	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PC[5]2CaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PC[5]2CaC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.7427	4.121	3	107.7427	16.984	3	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCeNNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCeNNO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.7641	0.687	17	109.7641	0.471	17	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PCuCNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PCuCNN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4324	1.007	9	108.4324	1.013	9	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PDyCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PDyCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	107.5667	1.889	22	107.5667	3.567	22	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PLi3C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PLi3C)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.2583	0.425	6	108.2583	0.180	6	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PNiCNS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PNiCNS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.7570	1.147	11	108.7570	1.315	11	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PPdCCO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.3513	2.171	6	109.3513	4.714	6	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PRe2CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PRe2CO)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.5833	1.327	6	108.5833	1.762	6	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2CU)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSe2CU)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.1144	1.116	36	109.1144	1.246	36	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSe2ThC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSe2ThC)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.2370	1.202	12	109.2370	1.445	12	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PSeTiCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PSeTiCN)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	108.4809	1.208	18	108.4809	1.460	18	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PThCSS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	C(PThCSS)(CH3)3	C(CCCP)(H)3	C(CCCP)(H)3	109.0543	1.085	12	109.0543	1.177	12	108.7679	2.129	158	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	P-5:N-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(PPdO3)(NPdCH)(CH3)2	C(CCNP)(H)3	C(CCNP)(H)3	C(PPdO3)(NPdCH)(CH3)2	C(CCNP)(H)3	C(CCNP)(H)3	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCNU)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCNU)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8942	0.693	21	108.8942	0.481	21	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCCOW)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCCOW)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.8233	1.987	3	108.8233	3.948	3	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiCeCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiCeCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3670	0.862	6	108.3670	0.744	6	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiLaCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiLaCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.2125	1.097	15	108.2125	1.203	15	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiMgCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiMgCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	107.9013	0.271	6	107.9013	0.073	6	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiNdCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiNdCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.9984	1.628	9	108.9984	2.652	9	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiScCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiScCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.6580	0.595	12	108.6580	0.354	12	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(SiZrCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	C(SiZrCCN)(CH3)3	C(CSiCC)(H)3	C(CSiCC)(H)3	108.3673	0.946	9	108.3673	0.895	9	108.5708	1.001	81	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3,4]C[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	108.2250	0.795	3	108.2250	0.633	3	108.4547	1.031	9	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	C(Si[3,4]C[3]N[3]N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	108.8773	1.314	3	108.8773	1.727	3	108.4547	1.031	9	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si[3,4]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[3,4]N[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	C(Si[3,4]N[3]2N[4]2)(CH3)3	C(CSi[3,4]CC)(H)3	C(CSi[3,4]CC)(H)3	108.2617	1.166	3	108.2617	1.360	3	108.4547	1.031	9	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	Si[5]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(Si[5]O[5]2CO)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	C(Si[5]O[5]2CO)(CH3)3	C(CSi[5]CC)(H)3	C(CSi[5]CC)(H)3	107.5807	0.775	6	107.5807	0.600	6	107.5807	0.600	6	108.6772	2.028	379	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:1:	4:1:1:1:	4:1:1:1:	B[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	C(CB[5x3,5x5,20x6]CH)(H)3	C(CB[5x3,5x5,20x6]CH)(H)3	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	C(CB[5x3,5x5,20x6]CH)(H)3	C(CB[5x3,5x5,20x6]CH)(H)3	110.7045	0.200	2	110.7045	0.040	2	110.7045	0.040	2	110.7120	0.020	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:1:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,20x6]-6:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C(CC[5x3,5x5,20x6]CH)(H)3	C(CC[5x3,5x5,20x6]CH)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CH3)2(H)	C(CC[5x3,5x5,20x6]CH)(H)3	C(CC[5x3,5x5,20x6]CH)(H)3	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7120	0.020	3	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	B[5x3,5x5,14x6]-6:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	C(CB[5x3,5x5,14x6]CC)(H)3	C(CB[5x3,5x5,14x6]CC)(H)3	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	C(CB[5x3,5x5,14x6]CC)(H)3	C(CB[5x3,5x5,14x6]CC)(H)3	107.4210	3.859	3	107.4210	14.895	3	107.4210	14.895	3	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C-6:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(CCe2HHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	C(CCe2HHO)(CH3)3	C(CC3)(H)3	C(CC3)(H)3	110.4443	1.859	3	110.4443	3.457	3	110.4443	3.457	3	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ru)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	107.4010	0.197	3	107.4010	0.039	3	107.4821	0.117	9	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Sm)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	107.5337	0.423	3	107.5337	0.179	3	107.4821	0.117	9	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Ti)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	106.9730	0.000	1	106.9730	0.000	1	107.4821	0.117	9	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090
490	490	490	0:SP3_SP3_SP3	C	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,20x6]-6:C[5]-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:H-1:H-1:H-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5]2Fe)(CH3)2	C(CC[5x3,5x5,20x6]C[5]C)(H)3	C(CC[5x3,5x5,20x6]C[5]C)(H)3	107.7810	0.178	2	107.7810	0.032	2	107.4821	0.117	9	108.0623	4.209	15	110.8366	9.082	216090	110.8366	9.082	216090