892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	116.6255	0.145	2	116.6255	0.021	2	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	115.0960	0.000	1	115.0960	0.000	1	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	114.9640	0.000	1	114.9640	0.000	1	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<2>,1|C<3>,1|H<1>}	112.9670	0.669	2	114.3101	2.344	23	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,1|H<1>,1|N<3>}	116.3110	0.000	1	114.3101	2.344	23	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	114.3444	1.513	20	114.3101	2.344	23	114.5349	2.385	27	114.5349	2.385	27	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	117.2250	26.982	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	3:4:4:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	113.5520	0.000	1	113.5520	0.000	1	113.5520	0.000	1	117.2250	26.982	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){1|H<1>,1|N<3>,3|C<3>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	113.7447	3.453	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	113.6770	1.189	3	113.6770	1.414	3	113.3176	2.948	5	113.7447	3.453	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH)	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	112.7785	2.828	2	112.7785	7.996	2	113.3176	2.948	5	113.7447	3.453	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(NC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.9427	18.177	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCHH){2|H<1>,3|C<3>}	112.6505	0.565	2	112.6505	0.319	2	112.6505	0.319	2	115.9427	18.177	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CCHH)(H)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCHH){1|C<3>,2|H<1>}	113.0470	0.272	2	113.0470	0.074	2	116.9796	22.269	7	115.9427	18.177	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCHH){1|C<3>,1|H<1>,1|O<2>}	123.6195	0.267	2	123.6195	0.071	2	116.9796	22.269	7	115.9427	18.177	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCHH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	115.1747	1.515	3	115.1747	2.295	3	116.9796	22.269	7	115.9427	18.177	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:3:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CH3)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CH3)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCHH){1|C<3>,2|H<1>}	119.2320	0.851	2	119.2320	0.725	2	119.2320	0.725	2	119.2320	0.725	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCHH){1|C<3>,2|H<1>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	117.1473	3.785	3	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	117.1473	3.785	3	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:4:1:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	117.1473	3.785	3	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:1:1:	4:4:4:4:	3:3:4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)2(NCHH)	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	C[6a](C[6a]C[6a]H)2(NCHH){1|C<3>,2|H<1>}	117.9755	0.405	2	117.9755	0.164	2	117.9755	0.164	2	117.9755	0.164	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	112.5619	1.026	8	112.5619	1.052	8	112.5619	1.052	8	112.9561	1.509	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	3:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	114.5330	0.000	2	114.5330	0.000	2	114.5330	0.000	2	112.9561	1.509	10	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:2:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N-4:	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH)	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCCH){1|C<3>,2|C<4>}	111.1045	0.603	2	111.1045	0.364	2	111.1045	0.364	2	111.1045	0.364	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|B<4>,1|H<1>,3|C<3>}	112.6645	0.623	2	112.7743	0.230	6	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	112.8293	0.492	4	112.7743	0.230	6	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	111.7893	2.201	6	111.7893	4.846	6	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]Br)(NCCH){1|H<1>,1|N<2>,3|C<3>}	114.1580	0.383	2	114.1580	0.147	2	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,3|C<3>}	111.8765	0.670	2	111.8765	0.448	2	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|F<1>,1|H<1>,3|C<3>}	112.8860	1.887	4	112.3567	1.922	124	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	112.4603	1.393	4	112.3567	1.922	124	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	112.2129	1.158	94	112.3567	1.922	124	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	113.0344	1.735	8	112.3567	1.922	124	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){2|H<1>,3|C<3>}	112.7544	2.241	14	112.3567	1.922	124	112.3692	1.959	140	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	113.9445	0.122	2	113.9445	0.015	2	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	113.2640	0.000	1	113.2640	0.000	1	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	110.7050	0.000	1	110.7050	0.000	1	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	112.1458	1.931	4	112.1458	3.730	4	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	112.2700	0.356	2	112.2700	0.127	2	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	112.9797	1.576	6	112.9797	2.484	6	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)2(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]C)2(NCCH){1|C<3>,2|H<1>}	114.7270	1.006	4	114.7270	1.011	4	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCCH){1|C<3>,1|H<1>,1|N<3>}	112.4040	1.015	2	112.4040	1.031	2	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCCH){1|C<3>,2|H<1>}	112.4955	1.362	8	112.4955	1.854	8	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,1|H<1>,1|S<2>}	113.3000	2.400	2	112.6975	1.999	48	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	112.6713	1.394	46	112.6975	1.999	48	112.7695	2.088	78	112.5124	2.033	218	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCCH){1|C<3>,2|H<1>}	113.5260	2.544	2	113.5260	6.473	2	113.5260	6.473	2	113.5260	6.473	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,1|N<3>,3|C<3>}	116.3740	0.762	2	116.3740	0.581	2	116.3740	0.581	2	111.6950	25.985	26	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCCH){1|C<3>,1|H<1>,1|O<2>}	112.3843	0.300	4	112.3843	0.090	4	111.3051	26.157	24	111.6950	25.985	26	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	111.9165	3.312	4	111.9165	10.969	4	111.3051	26.157	24	111.6950	25.985	26	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	110.8824	6.107	16	110.8824	37.295	16	111.3051	26.157	24	111.6950	25.985	26	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:N-4:C-2:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	113.1600	0.000	1	113.1600	0.000	1	113.1600	0.000	1	113.9830	1.355	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:2:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCCH)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]H)2(NCCH){1|C<3>,2|H<1>}	114.8060	0.000	1	114.8060	0.000	1	114.8060	0.000	1	113.9830	1.355	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:B-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NBCH)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(NBCH){1|C<3>,2|H<1>}	111.8155	0.148	2	111.8155	0.022	2	111.8155	0.022	2	113.4805	3.815	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCCH){1|H<1>,4|C<3>}	112.6770	0.181	2	112.6770	0.033	2	114.3130	3.580	4	113.4805	3.815	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:1:	4:4:4:1:	3:3:4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCCH){1|C<3>,2|H<1>}	115.9490	0.000	2	115.9490	0.000	2	114.3130	3.580	4	113.4805	3.815	6	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:3:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	110.3005	4.287	2	110.3005	18.380	2	110.3005	18.380	2	110.3005	18.380	2	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(Cl)(H)2	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	110.8690	0.000	1	110.8690	0.000	1	110.8690	0.000	1	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	111.5805	1.923	2	111.5805	3.696	2	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	111.8035	1.880	2	111.8035	3.535	2	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3)	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NC3){1|C<3>,2|H<1>}	111.2940	2.126	6	111.2940	4.520	6	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|C<4>}	110.9797	1.804	3	110.7524	2.402	190	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	110.7681	1.553	160	110.7524	2.402	190	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C[6a](C[6a]C[6a]H)2(NC3){1|H<1>,2|C<3>}	110.6341	1.562	27	110.7524	2.402	190	110.7875	2.456	200	110.7879	2.444	201	112.0958	5.697	522	112.0958	5.697	522
892	490	643	0:SP3_SP2_SP3	N	C	C[6a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[6a]-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC3)	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(NC3){1|C<3>,2|H<1>}	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	110.9660	0.000	1	112.0958	5.697	522	112.0958	5.697	522
892	490	679	0:SP3_SP3_SP3	N	C	B[5a]	4:4:4:1:	4:1:1:1:	4:2:2:4:	B[5a]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	B[5a]-4:S[5a]-2:S[5a]-2:N-4:	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH)	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCCH){2|C<3>,2|S<2>}	114.9570	1.230	2	114.9570	1.514	2	114.9570	1.514	2	114.9570	1.514	2	112.1174	12.018	5	112.1174	12.018	5
892	490	679	0:SP3_SP3_SP3	N	C	B[5a]	4:4:4:4:	4:4:1:1:	2:2:4:1:	B[5a]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	O[5a]-2:O[5a]-2:N-4:Cl-1:	N(B[5a]O[5a]2Cl)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	N(B[5a]O[5a]2Cl)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	110.2243	3.137	3	110.2243	9.841	3	110.2243	9.841	3	110.2243	9.841	3	112.1174	12.018	5	112.1174	12.018	5
892	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-4:	N(C[5a]N[5a,6]C[5a])(CH3)3	C(NC[5a]CC)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3)	N(C[5a]N[5a,6]C[5a])(CH3)3	C(NC[5a]CC)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	110.9040	1.388	3	110.9040	1.926	3	110.9040	1.926	3	110.9040	1.926	3	110.9040	1.926	3	110.9040	1.926	3
892	490	770	0:SP3_SP2_SP3	N	C	B	4:4:4:3:	4:4:1:1:	4:4:2:	C-4:C-4:C-4:B-3:	N-4:C-4:H-1:H-1:	C-4:N-4:O-2:	N(CCHH)3(BCO)	C(NBCC)(CH3)(H)2	B(CH3)(NC3)(OB)	N(CCHH)3(BCO)	C(NBCC)(CH3)(H)2	B(CH3)(NC3)(OB)	109.3193	2.667	3	109.3193	7.113	3	109.3193	7.113	3	109.3193	7.113	3	109.3193	7.113	3	109.3193	7.113	3
892	490	778	0:SP3_SP3_SPD5	N	C	C[3x3,3x5,12x6]	5:4:1:1:	4:4:4:4:	6:6:6:6:4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	B[5x3,4x5,13x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	C[3x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[4x3,3x5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(NCHH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	C[3x3,3x5,12x6](B[5x3,4x5,13x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[4x3,3x5,6,6]B[5x3,5,6])(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(NCHH){1|B<5>,4|B<6>,6|H<1>}	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	118.4977	34.247	3	118.4977	34.247	3
892	490	778	0:SP3_SP3_SPD5	N	C	C[3x3,3x5,12x6]	5:4:4:1:	4:1:1:1:	6:6:6:6:4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(H)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH){1|B<6>,5|H<1>}	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	118.4977	34.247	3	118.4977	34.247	3
892	490	778	0:SP3_SP3_SPD5	N	C	C[3x3,3x5,12x6]	5:4:4:1:	4:4:4:4:	6:6:6:6:4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(CH3)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(CH3)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)2(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)2(NCCH){1|B<6>,5|H<1>}	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	118.4977	34.247	3	118.4977	34.247	3
892	490	786	0:SP3_SP3_SP3	N	C	B[5]	4:4:1:1:	4:3:1:1:	2:2:4:1:	B[5]-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	O[5]-2:O[5]-2:N-4:H-1:	N(B[5]O[5]2H)(CCHH)(H)2	C(NB[5]HH)(CCH)(H)2	B[5](O[5]C[5])2(NCHH)(H)	N(B[5]O[5]2H)(CCHH)(H)2	C(NB[5]HH)(CCH)(H)2	B[5](O[5]C[5])2(NCHH)(H){4|C<4>}	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1
892	490	811	0:SP3_SP3_SP3	N	C	B[6a]	4:4:1:1:	3:4:1:1:	3:2:2:4:	B[6a]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	117.2693	0.150	3	117.2693	0.022	3	117.2693	0.022	3	117.2693	0.022	3	117.2693	0.022	3	117.2693	0.022	3
892	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-4:	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|H<1>,3|C<3>}	110.6593	2.561	3	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9
892	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-4:	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3)	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NC3){1|Pd<4>,3|C<3>}	110.9572	2.099	6	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9	110.8579	4.417	9
892	490	863	0:SP3_SP2_SP3	N	C	O	4:1:1:1:	4:4:1:1:	4:	C-4:O-1:O-1:O-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(O)3	C(CC[6a]C[5]H)(NO3)(H)2	O(NCOO)	N(CCHH)(O)3	C(CC[6a]C[5]H)(NO3)(H)2	O(NCOO)	116.9337	5.148	3	116.9337	26.500	3	116.9337	26.500	3	116.9337	26.500	3	112.1322	24.021	8	112.1322	24.021	8
892	490	863	0:SP3_SP2_SP3	N	C	O	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:O-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(CH3)2(O)	C(NCCO)(H)3	O(NC3)	N(CCHH)(CH3)2(O)	C(NCCO)(H)3	O(NC3)	109.1185	0.168	2	109.1185	0.028	2	109.1185	0.028	2	109.1185	0.028	2	112.1322	24.021	8	112.1322	24.021	8
892	490	863	0:SP3_SP2_SP3	N	C	O	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(O)	C(CHHN)(NCCO)(H)2	O(NC3)	N(CCHH)(CH3)2(O)	C(CHHN)(NCCO)(H)2	O(NC3)	111.0530	0.000	1	111.0530	0.000	1	109.3400	2.201	3	109.3400	2.201	3	112.1322	24.021	8	112.1322	24.021	8
892	490	863	0:SP3_SP2_SP3	N	C	O	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:O-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(O)	C(CHHO)(NCCO)(H)2	O(NC3)	N(CCHH)3(O)	C(CHHO)(NCCO)(H)2	O(NC3)	108.4835	0.008	2	108.4835	0.000	2	109.3400	2.201	3	109.3400	2.201	3	112.1322	24.021	8	112.1322	24.021	8
892	490	874	0:SP3_SP3_SP3	N	C	B[6,6]	4:4:4:1:	4:1:1:1:	4:3:4:4:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[3x6]-4:B[6,6]-3:N-4:N-4:	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	116.0973	2.344	4	116.0973	5.496	4	116.0973	5.496	4	116.0973	5.496	4	115.6112	2.936	8	115.2101	2.999	10
892	490	874	0:SP3_SP3_SP3	N	C	B[6,6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	115.1252	0.851	4	115.1252	0.724	4	115.1252	0.724	4	115.1252	0.724	4	115.6112	2.936	8	115.2101	2.999	10
892	490	874	0:SP3_SP3_SP3	N	C	B[6]	4:4:4:1:	4:1:1:1:	2:2:4:4:	B[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:B[6]-4:N-4:	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH)	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	B[6](O[6]C[6,6a])2(B[6]O[6]2N)(NCCH){5|C<3>}	113.6055	0.021	2	113.6055	0.000	2	113.6055	0.000	2	113.6055	0.000	2	113.6055	0.000	2	115.2101	2.999	10
892	490	876	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	3:4:1:1:	4:1:	C-4:H-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:	N(CC[6a]HH)(HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)(H)	N(CC[6a]HH)(HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)(H)	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1
892	490	878	0:SP3_SP-NON_SP3	N	C	Ga[4]	4:4:4:4:	4:1:1:1:	3:3:4:1:	Ga[4]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	P[4]-3:P[4]-3:N-4:H-1:	N(Ga[4]P[4]2H)(CH3)3	C(NGa[4]CC)(H)3	Ga[4](P[4]Ga[4]Si)2(NC3)(H)	N(Ga[4]P[4]2H)(CH3)3	C(NGa[4]CC)(H)3	Ga[4](P[4]Ga[4]Si)2(NC3)(H){1|H<1>,1|N<4>}	109.3953	1.490	3	109.3953	2.220	3	109.3953	2.220	3	109.3953	2.220	3	109.3953	2.220	3	109.3953	2.220	3
892	490	880	0:SP3_SP3_SP3	N	C	Si	4:4:4:1:	4:1:1:1:	4:4:3:3:	Si-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[5]-4:N-4:N-3:N-3:	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	Si(C[5]C[5]2Fe)(NCCH)(NCC)2	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	Si(C[5]C[5]2Fe)(NCCH)(NCC)2	112.6260	4.849	2	112.6260	23.516	2	112.6260	23.516	2	112.6260	23.516	2	108.9313	14.420	6	108.9313	14.420	6
892	490	880	0:SP3_SP3_SP3	N	C	Si	4:4:4:4:	4:1:1:1:	4:4:4:4:	Si-4:Si-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:C-4:C-4:C-4:	N(SiC3)2(CH3)2	C(NSi2C)(H)3	Si(NSiCC)(CH3)3	N(SiC3)2(CH3)2	C(NSi2C)(H)3	Si(NSiCC)(CH3)3	107.0840	1.595	4	107.0840	2.543	4	107.0840	2.543	4	107.0840	2.543	4	108.9313	14.420	6	108.9313	14.420	6
892	490	887	0:SP3_SP3_SP3	N	C	S	4:3:1:1:	4:4:4:1:	4:4:1:	C-4:S-3:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:C-4:O-1:	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	S(NCHH)(CC3)(O)	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	S(NCHH)(CC3)(O)	116.8970	0.651	2	116.8970	0.423	2	116.8970	0.423	2	116.8970	0.423	2	116.8970	0.423	2	116.8970	0.423	2
892	490	892	0:SP3_SP3_SP3	N	C	N	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(NH3)(H)2	C(CHHO)(NHHN)(H)2	N(NCHH)(H)3	N(CCHH)(NH3)(H)2	C(CHHO)(NHHN)(H)2	N(NCHH)(H)3	110.8610	0.000	1	110.8610	0.000	1	110.8610	0.000	1	110.8610	0.000	1	112.0744	2.213	5	112.0744	2.213	5
892	490	892	0:SP3_SP3_SP3	N	C	N	4:4:4:1:	4:1:1:1:	4:4:4:1:	N-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:C-4:C-4:H-1:	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	N(NCCH)(CH3)2(H)	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	N(NCCH)(CH3)2(H)	112.3777	1.529	4	112.3777	2.337	4	112.3777	2.337	4	112.3777	2.337	4	112.0744	2.213	5	112.0744	2.213	5
892	490	893	0:SP3_SP3_SP3	N	C	O	4:2:1:1:	3:4:4:1:	4:1:	C-4:O-2:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:H-1:	N(CCCH)(OH)(H)2	C(CC[6a]O)(NHHO)(CH3)(H)	O(NCHH)(H)	N(CCCH)(OH)(H)2	C(CC[6a]O)(NHHO)(CH3)(H)	O(NCHH)(H)	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:2:1:1:	4:1:1:1:	4:1:	C-4:O-2:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:	N(CH3)(OH)(H)2	C(NHHO)(H)3	O(NCHH)(H)	N(CH3)(OH)(H)2	C(NHHO)(H)3	O(NCHH)(H)	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(CCHH)(OC)(H)2	C(CCHH)(NHHO)(H)2	O(CCHH)(NCHH)	N(CCHH)(OC)(H)2	C(CCHH)(NHHO)(H)2	O(CCHH)(NCHH)	107.4647	0.610	4	107.4647	0.372	4	107.4647	0.227	6	107.4647	0.227	6	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:2:1:1:	4:4:1:1:	4:4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(CCHH)(OC)(H)2	C(CHHN)(NHHO)(H)2	O(CCHH)(NCHH)	N(CCHH)(OC)(H)2	C(CHHN)(NHHO)(H)2	O(CCHH)(NCHH)	107.4645	0.128	2	107.4645	0.016	2	107.4647	0.227	6	107.4647	0.227	6	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:O-2:H-1:	N-4:H-1:H-1:H-1:	Ga-4:N-4:	N(CCHH)(CH3)(OGa)(H)	C(NCHO)(H)3	O(GaCCO)(NCCH)	N(CCHH)(CH3)(OGa)(H)	C(NCHO)(H)3	O(GaCCO)(NCCH)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	O(NCCH)(H)	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	O(NCCH)(H)	109.9712	2.337	4	109.9712	5.463	4	109.9712	5.463	4	109.9712	5.463	4	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:4:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	108.0910	0.000	1	108.0910	0.000	1	107.9395	0.046	2	106.9116	3.070	5	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:4:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	107.7880	0.000	1	107.7880	0.000	1	107.9395	0.046	2	106.9116	3.070	5	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:4:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	O(NBCH)(CH3)	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	O(NBCH)(CH3)	103.8730	0.000	1	103.8730	0.000	1	103.8730	0.000	1	106.9116	3.070	5	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:B-4:O-2:H-1:	C[6]-4:N-4:H-1:H-1:	C-4:N-4:	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	O(CC[6a]HH)(NBCH)	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	106.9116	3.070	5	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	Ga-4:N-4:	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	O(GaCCO)(NCCH)	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	O(GaCCO)(NCCH)	106.9530	0.000	1	106.9530	0.000	1	106.9530	0.000	1	106.9116	3.070	5	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:	N(CCHH)(CH3)2(OH)	C(NCCO)(H)3	O(NC3)(H)	N(CCHH)(CH3)2(OH)	C(NCCO)(H)3	O(NC3)(H)	107.1460	2.330	4	107.1460	5.431	4	107.2362	3.627	10	107.2362	3.627	10	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:	N(CH3)3(OH)	C(NCCO)(H)3	O(NC3)(H)	N(CH3)3(OH)	C(NCCO)(H)3	O(NC3)(H)	107.2963	1.805	6	107.2963	3.259	6	107.2362	3.627	10	107.2362	3.627	10	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:I-2:	N(CH3)3(OI)	C(NCCO)(H)3	O(NC3)(ICl)	N(CH3)3(OI)	C(NCCO)(H)3	O(NC3)(ICl)	107.6390	4.603	2	107.6390	21.190	2	107.6390	21.190	2	107.6390	21.190	2	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:1:1:1:	4:4:	B-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	Si-4:N-4:	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	O(SiCHO)(NBCC)	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	O(SiCHO)(NBCC)	104.8008	1.680	4	104.8008	2.824	4	104.8008	2.824	4	106.2159	12.184	7	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:P-4:	N(CH3)3(OP)	C(NCCO)(H)3	O(NC3)(PO3)	N(CH3)3(OP)	C(NCCO)(H)3	O(NC3)(PO3)	108.1027	4.793	3	108.1027	22.972	3	108.1027	22.972	3	106.2159	12.184	7	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-4:C-3:H-1:H-1:	N-4:H-1:	N(CCHH)(CH3)2(OH)	C(NCCO)(COO)(H)2	O(NC3)(H)	N(CCHH)(CH3)2(OH)	C(NCCO)(COO)(H)2	O(NC3)(H)	109.9790	0.134	2	109.9790	0.018	2	109.9790	0.018	2	109.9790	0.018	2	107.5555	5.741	42	107.5555	5.741	42
892	490	893	0:SP3_SP3_SP3	N	C	O	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	N-4:H-1:	N(CCHH)3(OH)	C(NCCO)(CH3)(H)2	O(NC3)(H)	N(CCHH)3(OH)	C(NCCO)(CH3)(H)2	O(NC3)(H)	107.2223	3.470	3	107.2223	12.042	3	107.2223	12.042	3	107.2223	12.042	3	107.5555	5.741	42	107.5555	5.741	42
892	490	899	0:SP3_SP-NON_SP3	N	C	C	4:1:1:1:	4:4:1:1:	4:	C-4:C-1:C-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(C)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)	N(CCHH)(C)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)	116.9645	6.116	2	116.9645	37.403	2	116.9645	37.403	2	116.9645	37.403	2	116.9645	37.403	2	116.9645	37.403	2
892	490	930	0:SP3_SP2_SP3	N	C	C	3:4:1:1:	4:3:1:1:	3:4:1:	C-3:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	C[6a]-3:N-4:H-1:	N(CC[6a]H)(CCHH)(H)2	C(NCHH)(CHN)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]H)(CCHH)(H)2	C(NCHH)(CHN)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	3:4:1:1:	4:4:1:1:	3:4:1:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:	N(CC[6a]H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)	126.1400	0.000	1	126.1400	0.000	1	126.1400	0.000	1	126.1400	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	3:4:1:1:	4:4:4:4:	3:3:4:	C-3:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C[6a]-3:C-3:N-4:	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	3:4:4:3:	4:1:1:1:	4:4:3:	C[6a]-3:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:C-4:C-3:	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C(NC[6a]CC)(CCHH)(CBH)	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C(NC[6a]CC)(CCHH)(CBH)	110.9040	4.531	2	110.9040	20.531	2	110.9040	20.531	2	110.9040	20.531	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	3:4:4:4:	4:4:1:1:	3:4:2:	C-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C[6a]-3:N-4:C-2:	N(CC[6a]C)(CCHH)3	C(CH3)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(CC)	N(CC[6a]C)(CCHH)3	C(CH3)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(CC)	109.7320	1.394	3	109.7320	1.942	3	109.7320	1.942	3	109.7320	1.942	3	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	3:4:1:1:	4:4:1:	C-4:C-3:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)	N(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	3:4:3:1:	3:4:1:	C-4:C-3:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:N-4:H-1:	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(NCHH)(H)	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(COO)(H)	C(C[6a]C[6a]2)(NCHH)(H)	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	114.1910	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	4:4:1:1:	3:4:1:	C-4:C-3:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	C[5a]-3:N-4:O-1:	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]2H)(NCHH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(O)	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]2H)(NCHH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(O)	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)	113.4547	1.329	3	113.4547	1.767	3	113.4547	1.767	3	113.4547	1.767	3	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	4:4:4:1:	4:2:1:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:N-2:O-1:	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	C(NCHH)(NC)(O)	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	C(NCHH)(NC)(O)	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	4:4:4:1:	4:4:4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2(H)	C(NCHH)(CH3)2	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2(H)	C(NCHH)(CH3)2	117.2300	0.972	2	117.2300	0.944	2	117.2300	0.944	2	117.2300	0.944	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:3:1:1:	4:4:4:4:	4:4:1:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	C-4:N-4:O-1:	N(CC3)(CCO)(H)2	C(NCHH)(CH3)3	C(CC[6]HH)(NCHH)(O)	N(CC3)(CCO)(H)2	C(NCHH)(CH3)3	C(CC[6]HH)(NCHH)(O)	124.4200	0.000	1	124.4200	0.000	1	124.4200	0.000	1	124.4200	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:1:	4:4:1:1:	4:1:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)2	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)2	115.9450	13.757	2	115.9450	189.268	2	115.9450	189.268	2	115.9450	189.268	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:1:	4:4:1:1:	4:3:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:N-3:O-1:	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(NCC)(O)	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(NCC)(O)	109.0150	0.190	2	109.0150	0.036	2	109.0150	0.036	2	109.0150	0.036	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:1:	4:4:1:1:	4:3:2:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:N-3:O-2:	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(NCC)(OW)	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(NCC)(OW)	110.5030	0.440	2	110.5030	0.193	2	110.5030	0.193	2	110.5030	0.193	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:3:	4:3:1:1:	4:3:1:	C-4:C-4:C-3:C-3:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)2	C(NC3)(CCH)(H)	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)2	C(NC3)(CCH)(H)	109.3287	2.897	4	109.3287	8.395	4	109.3287	8.395	4	109.3287	8.395	4	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:	N(CCHH)2(CHH)2	C(CH3)(NC3)(H)2	C(NC3)(H)2	N(CCHH)2(CHH)2	C(CH3)(NC3)(H)2	C(NC3)(H)2	108.9960	0.816	2	108.9960	0.666	2	108.9960	0.666	2	108.9960	0.666	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	108.5627	3.138	4	108.5627	9.847	4	110.2004	13.070	8	110.2004	13.070	8	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)	111.8380	3.674	4	111.8380	13.499	4	110.2004	13.070	8	110.2004	13.070	8	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C-4:C-4:C-4:C-3:	C[6a]-3:N-4:H-1:H-1:	N-4:O-2:O-1:	N(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(OB)(O)	N(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(OB)(O)	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:C-3:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(Cl)(H)2	C(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(Cl)(H)2	C(NC3)(H)2	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.5210	0.249	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(H)3	C(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(H)3	C(NC3)(H)2	109.1680	0.000	1	109.1680	0.000	1	109.1680	0.000	1	109.5210	0.249	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:O-2:O-1:	N(CC[6a]HH)(CH3)2(COO)	C(NC3)(H)3	C(NC3)(OB)(O)	N(CC[6a]HH)(CH3)2(COO)	C(NC3)(H)3	C(NC3)(OB)(O)	109.2995	5.103	2	109.2995	26.043	2	109.2995	26.043	2	109.2995	26.043	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:C-3:H-1:	N(CH3)3(CCH)	C(NC3)(H)3	C(NC3)(CHH)(H)	N(CH3)3(CCH)	C(NC3)(H)3	C(NC3)(CHH)(H)	110.2809	3.713	12	110.2809	13.788	12	110.2809	13.788	12	110.2809	13.788	12	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)2(CH3)(CCH)	C(NC3)(H)3	C(CCHH)(NC3)(H)	N(CCHH)2(CH3)(CCH)	C(NC3)(H)3	C(CCHH)(NC3)(H)	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:3:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	N-4:C-3:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)2(CH3)(CCH)	C(NC3)(CCH)(H)2	C(CCHH)(NC3)(H)	N(CCHH)2(CH3)(CCH)	C(NC3)(CCH)(H)2	C(CCHH)(NC3)(H)	112.1960	0.000	1	112.1960	0.000	1	107.4700	44.670	2	107.4700	44.670	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:3:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	N-4:C-3:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)3(CCH)	C(NC3)(CCH)(H)2	C(CCHH)(NC3)(H)	N(CCHH)3(CCH)	C(NC3)(CCH)(H)2	C(CCHH)(NC3)(H)	102.7440	0.000	1	102.7440	0.000	1	107.4700	44.670	2	107.4700	44.670	2	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:	N(CCHH)3(CHH)	C(CH3)(NC3)(H)2	C(NC3)(H)2	N(CCHH)3(CHH)	C(CH3)(NC3)(H)2	C(NC3)(H)2	109.8249	7.453	18	109.8249	55.547	18	109.8152	52.463	19	109.8152	52.463	19	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(H)2	109.6400	0.000	1	109.6400	0.000	1	109.8152	52.463	19	109.8152	52.463	19	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)	110.4633	2.577	3	110.4633	6.642	3	109.5665	8.320	6	109.5665	8.320	6	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(NC3)(CCH)(H)	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(NC3)(CCH)(H)	108.6697	3.427	3	108.6697	11.746	3	109.5665	8.320	6	109.5665	8.320	6	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:3:2:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:C-3:N-2:	N(CCHH)3(CCN)	C(CH3)(NC3)(H)2	C(NC3)(COO)(NN)	N(CCHH)3(CCN)	C(CH3)(NC3)(H)2	C(NC3)(COO)(NN)	109.4620	0.515	3	109.4620	0.265	3	109.4620	0.265	3	109.4620	0.265	3	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	110.0840	0.000	1	110.0840	0.000	1	109.9883	9.457	15	109.9883	9.457	15	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)	110.6671	3.201	8	110.6671	10.246	8	109.9883	9.457	15	109.9883	9.457	15	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)	109.0673	3.222	6	109.0673	10.379	6	109.9883	9.457	15	109.9883	9.457	15	110.9184	26.210	102	110.9184	26.210	102
892	490	930	0:SP3_SP2_SP3	N	C	C	5:4:3:1:	4:4:1:1:	4:4:1:	C-5:C-4:C-3:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	110.9184	26.210	102	110.9184	26.210	102
892	490	941	0:SP3_SP2_SP3	N	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-3:N-4:	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NHHN)(H)2	N(CC[6a]H)(NCHH)	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NHHN)(H)2	N(CC[6a]H)(NCHH)	109.5370	0.048	2	109.5370	0.002	2	109.5370	0.002	2	109.5370	0.002	2	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:	N(CCHH)(CH3)2(NH)	C(NCCN)(H)3	N(NC3)(H)	N(CCHH)(CH3)2(NH)	C(NCCN)(H)3	N(NC3)(H)	108.0115	0.179	2	108.0115	0.032	2	108.0115	0.032	2	108.0115	0.032	2	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	S-4:N-4:	N(CCHH)(CH3)2(NS)	C(NCCN)(H)3	N(SC[6a]OO)(NC3)	N(CCHH)(CH3)2(NS)	C(NCCN)(H)3	N(SC[6a]OO)(NC3)	112.9900	5.189	2	112.9900	26.923	2	113.8357	15.607	3	113.8357	15.607	3	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	S-4:N-4:	N(CCHH)2(CH3)(NS)	C(NCCN)(H)3	N(SC[6a]OO)(NC3)	N(CCHH)2(CH3)(NS)	C(NCCN)(H)3	N(SC[6a]OO)(NC3)	115.5270	0.000	1	115.5270	0.000	1	113.8357	15.607	3	113.8357	15.607	3	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:3:1:1:	4:4:	C-4:C-4:C-4:N-2:	N-4:C-3:H-1:H-1:	S-4:N-4:	N(CCHH)(CH3)2(NS)	C(NCCN)(CCH)(H)2	N(SC[6a]OO)(NC3)	N(CCHH)(CH3)2(NS)	C(NCCN)(CCH)(H)2	N(SC[6a]OO)(NC3)	103.9840	0.000	1	103.9840	0.000	1	106.4353	20.788	3	106.4353	20.788	3	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:3:1:1:	4:4:	C-4:C-4:C-4:N-2:	N-4:C-3:H-1:H-1:	S-4:N-4:	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	N(SC[6a]OO)(NC3)	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	N(SC[6a]OO)(NC3)	107.6610	5.706	2	107.6610	32.562	2	106.4353	20.788	3	106.4353	20.788	3	109.9145	17.325	11	109.9145	17.325	11
892	490	941	0:SP3_SP2_SP3	N	C	N	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:N-2:	C-4:N-4:H-1:H-1:	N-4:H-1:	N(CCHH)(CH3)2(NH)	C(CClHH)(NCCN)(H)2	N(NC3)(H)	N(CCHH)(CH3)2(NH)	C(CClHH)(NCCN)(H)2	N(NC3)(H)	113.1490	0.000	1	113.1490	0.000	1	113.1490	0.000	1	113.1490	0.000	1	109.9145	17.325	11	109.9145	17.325	11
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6a]HH)(H)2	H(NC[6a]CH)	104.2125	0.868	4	104.2125	0.753	4	108.7625	8.719	53	108.7625	8.719	53	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	3:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(H)2	H(NC[6a]CH)	109.1339	2.744	49	109.1339	7.532	49	108.7625	8.719	53	108.7625	8.719	53	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(CCCO)(H)	H(NC[6a]CH)	107.0900	0.018	2	107.0900	0.000	2	107.0900	0.000	2	108.7777	4.496	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	H(NC[6a]CH)	110.4655	1.447	2	110.4655	2.095	2	110.4655	2.095	2	108.7777	4.496	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(NC[6a]HH)(H)3	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CH3)(H)2	C(NC[6a]HH)(H)3	H(NC[6a]CH)	106.3440	1.608	2	106.3440	2.586	2	109.4057	4.299	11	109.4057	4.299	11	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:1:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	H(NC[6a]CH)	N(C[6a]C[6a]2)(CH3)(H)2	C(NC[6a]HH)(H)3	H(NC[6a]CH)	110.0861	1.479	9	110.0861	2.186	9	109.4057	4.299	11	109.4057	4.299	11	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:3:1:1:	4:	C-3:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]H)(CCHH)(H)2	C(NCHH)(CHN)(H)2	H(NCCH)	N(CC[6a]H)(CCHH)(H)2	C(NCHH)(CHN)(H)2	H(NCCH)	119.9120	8.576	2	119.9120	73.544	2	119.9120	73.544	2	119.9120	73.544	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[6a]H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	105.7745	0.011	2	105.7745	0.000	2	105.7745	0.000	2	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(NC[6a]HH)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(CC[6a]CH)(NC[6a]HH)(H)2	H(NC[6a]CH)	108.4475	0.025	2	108.4475	0.001	2	108.4475	0.001	2	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(NC[6a]CH)	N(C[6a]C[6a,6a]C[6a])(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(NC[6a]CH)	108.8440	0.338	4	108.8440	0.114	4	107.6084	3.340	18	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CCHH)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CCHH)(H)2	H(NC[6a]CH)	106.2640	3.296	4	106.2640	10.864	4	107.6084	3.340	18	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CH3)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CH3)(H)2	H(NC[6a]CH)	106.4265	0.085	4	106.4265	0.007	4	107.6084	3.340	18	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:1:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCHH)(H)2	C(NC[6a]HH)(CHHN)(H)2	H(NC[6a]CH)	108.4688	0.303	6	108.4688	0.092	6	107.6084	3.340	18	107.5180	3.083	22	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:3:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CH3)(CCN)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CH3)(CCN)(H)	H(NC[6a]CH)	106.0785	4.657	4	106.0785	21.690	4	106.0785	21.690	4	106.0785	21.690	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a]CH)(NC[6a]HH)(CH3)(H)	H(NC[6a]CH)	107.7000	0.037	2	107.7000	0.001	2	107.7000	0.001	2	107.6614	5.531	5	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC[5]CH)(H)2	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	H(NC[6a]CH)	107.1860	4.572	2	107.1860	20.905	2	107.1860	20.905	2	107.6614	5.531	5	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	H(NC[6a]CH)	N(C[6a]C[6a]2)(CCCH)(H)2	C(NC[6a]HH)(CCCH)(CH3)(H)	H(NC[6a]CH)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	107.6614	5.531	5	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:4:4:	4:	C-3:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	N(CC[6a]C)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	107.7565	1.552	2	107.7565	2.409	2	107.7565	2.409	2	107.4595	3.750	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	H(NC[6a]CH)	N(C[6a]C[6a]2)(CC3)(H)2	C(NC[6a]HH)(CCHH)(CH3)2	H(NC[6a]CH)	107.3110	2.315	4	107.3110	5.358	4	107.3110	5.358	4	107.4595	3.750	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(NC[6a]CC)	105.2810	3.623	8	105.2810	13.127	8	105.0718	10.405	10	105.0718	10.405	10	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	3:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	H(NC[6a]CC)	104.2350	0.000	2	104.2350	0.000	2	105.0718	10.405	10	105.0718	10.405	10	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	108.1369	3.754	138	108.1369	14.091	138	107.3886	12.109	218	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	106.4710	0.898	3	106.4710	0.806	3	107.3886	12.109	218	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	107.0120	0.000	1	107.0120	0.000	1	107.3886	12.109	218	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	106.0837	2.536	74	106.0837	6.434	74	107.3886	12.109	218	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	H(NC[6a]CC)	105.6005	3.689	2	105.6005	13.609	2	107.3886	12.109	218	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:1:1:1:	4:	N-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	H(NCCN)	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	H(NCCN)	107.4015	4.689	2	107.4015	21.985	2	107.4015	21.985	2	107.3887	12.099	220	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:3:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	H(NC[6a]CC)	106.3965	5.205	2	106.3965	27.092	2	106.3965	27.092	2	106.3965	27.092	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	H(NC[6a]CC)	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	H(NC[6a]CC)	100.2812	0.579	2	100.2812	0.336	2	106.0563	6.883	26	106.0563	6.883	26	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:1:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	H(NC[6a]CC)	106.5376	2.080	24	106.5376	4.325	24	106.0563	6.883	26	106.0563	6.883	26	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:N-4:C-2:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(NC[6a]CC)	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	106.6285	0.297	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:2:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-2:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	H(NC[6a]CC)	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	106.6285	0.297	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:B-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	H(NC[6a]BC)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	H(NC[6a]BC)	102.0270	0.030	2	102.0270	0.001	2	102.0270	0.001	2	103.5982	1.562	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	H(NC[6a]CC)	104.5175	0.575	2	104.5175	0.330	2	104.3838	0.134	4	103.5982	1.562	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	H(NC[6a]CC)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(NC[6a]CH)(CCHH)(CH3)(H)	H(NC[6a]CC)	104.2500	0.000	2	104.2500	0.000	2	104.3838	0.134	4	103.5982	1.562	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	N-4:	N(CC[6a]2C[6])(H)3	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	H(NCHH)	N(CC[6a]2C[6])(H)3	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	H(NCHH)	109.5230	0.091	3	109.5230	0.008	3	109.5230	0.008	3	110.7184	3.373	175	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:3:3:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(CC[6a]3)(H)3	C(C[6a]C[6a]2)3(NH3)	H(NCHH)	N(CC[6a]3)(H)3	C(C[6a]C[6a]2)3(NH3)	H(NCHH)	110.7393	1.846	172	110.7393	3.406	172	110.7393	3.406	172	110.7184	3.373	175	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-4:H-1:	N-4:	N(CC[5]2H)(H)3	C(C[5]N[5]2)2(NH3)(H)	H(NCHH)	N(CC[5]2H)(H)3	C(C[5]N[5]2)2(NH3)(H)	H(NCHH)	111.5437	4.014	3	111.5437	16.109	3	111.5437	16.109	3	109.9324	5.587	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-4:H-1:	N-4:	N(CC[5a]2H)(H)3	C(C[5a]N[5a]2)2(NH3)(H)	H(NCHH)	N(CC[5a]2H)(H)3	C(C[5a]N[5a]2)2(NH3)(H)	H(NCHH)	109.4813	0.021	3	109.4813	0.000	3	109.4813	0.000	3	109.9324	5.587	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]2H)(H)3	C(C[6a]C[6a]2)2(NH3)(H)	H(NCHH)	N(CC[6a]2H)(H)3	C(C[6a]C[6a]2)2(NH3)(H)	H(NCHH)	108.7723	0.137	3	108.7723	0.019	3	108.7723	0.019	3	109.9324	5.587	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[5]H)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[5]H)(NH3)(H)2	H(NCHH)	109.4637	0.010	3	109.4637	0.000	3	109.6459	1.497	17	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6a]H)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6a]H)(NH3)(H)2	H(NCHH)	109.4087	0.025	3	109.4087	0.001	3	109.6459	1.497	17	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6a]O)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6a]O)(NH3)(H)2	H(NCHH)	110.5677	3.228	3	110.5677	10.418	3	109.6459	1.497	17	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[5]H)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[5]H)(NH3)(H)2	H(NCHH)	109.4537	0.066	3	109.4537	0.004	3	109.6459	1.497	17	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[5]O)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[5]O)(NH3)(H)2	H(NCHH)	109.4600	0.027	5	109.4600	0.001	5	109.6459	1.497	17	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(H)3	C(C[5]C[5]S[5])(NH3)(H)2	H(NCHH)	N(CC[5]HH)(H)3	C(C[5]C[5]S[5])(NH3)(H)2	H(NCHH)	109.4320	0.037	5	109.4320	0.001	5	110.0954	4.579	14	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(H)3	C(C[5]N[5]2)(NH3)(H)2	H(NCHH)	N(CC[5]HH)(H)3	C(C[5]N[5]2)(NH3)(H)2	H(NCHH)	110.4640	2.648	9	110.4640	7.012	9	110.0954	4.579	14	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(H)3	C(C[5a]C[5a]O[5a])(NH3)(H)2	H(NCHH)	N(CC[5a]HH)(H)3	C(C[5a]C[5a]O[5a])(NH3)(H)2	H(NCHH)	109.2733	0.405	3	109.2733	0.164	3	109.8397	3.216	10	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(H)3	C(C[5a]C[5a]S[5a])(NH3)(H)2	H(NCHH)	N(CC[5a]HH)(H)3	C(C[5a]C[5a]S[5a])(NH3)(H)2	H(NCHH)	109.4385	0.043	4	109.4385	0.002	4	109.8397	3.216	10	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(H)3	C(C[5a]N[5a]2)(NH3)(H)2	H(NCHH)	N(CC[5a]HH)(H)3	C(C[5a]N[5a]2)(NH3)(H)2	H(NCHH)	110.9410	3.418	3	110.9410	11.684	3	109.8397	3.216	10	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6])(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6,6a]C[6])(NH3)(H)2	H(NCHH)	110.8923	0.095	3	110.8923	0.009	3	109.5324	0.185	136	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]2)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]2)(NH3)(H)2	H(NCHH)	109.5149	0.325	71	109.5149	0.106	71	109.5324	0.185	136	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]N[6])(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]N[6])(NH3)(H)2	H(NCHH)	109.4866	0.440	62	109.4866	0.193	62	109.5324	0.185	136	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(H)3	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	H(NCHH)	N(CC[6a]HH)(H)3	C(C[6a]C[6,6a]C[6a])(NH3)(H)2	H(NCHH)	111.0670	0.797	3	111.0670	0.634	3	110.0914	3.433	608	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)	N(CC[6a]HH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)	110.7419	2.253	57	110.7419	5.075	57	110.0914	3.433	608	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	H(NCHH)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]2)(NH3)(H)2	H(NCHH)	110.0205	1.823	523	110.0205	3.324	523	110.0914	3.433	608	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(H)3	C(C[6a]C[6a]N[6a])(NH3)(H)2	H(NCHH)	N(CC[6a]HH)(H)3	C(C[6a]C[6a]N[6a])(NH3)(H)2	H(NCHH)	109.9728	1.176	25	109.9728	1.383	25	110.0914	3.433	608	109.9817	2.880	785	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-3:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CN[5]O)(NH3)(CCH)(H)	H(NCHH)	N(CCCH)(H)3	C(CN[5]O)(NH3)(CCH)(H)	H(NCHH)	109.5000	4.209	3	109.5000	17.718	3	109.5000	17.718	3	109.5001	5.310	59	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:N-4:C-3:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]2)(NH3)(CNO)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]2)(NH3)(CNO)(H)	H(NCHH)	109.4853	0.032	3	109.4853	0.001	3	109.4853	0.001	3	109.5001	5.310	59	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(NH3)(CCH)(H)	H(NCHH)	109.4757	0.011	3	109.4757	0.000	3	109.5009	5.241	53	109.5001	5.310	59	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(CNO)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(CNO)(H)	H(NCHH)	109.4983	0.057	6	109.4983	0.003	6	109.5009	5.241	53	109.5001	5.310	59	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(COO)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(NH3)(COO)(H)	H(NCHH)	109.5030	2.517	44	109.5030	6.338	44	109.5009	5.241	53	109.5001	5.310	59	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[5]F)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5]F)(CH3)(NH3)(H)	H(NCHH)	109.4805	0.009	2	109.4805	0.000	2	109.7846	3.986	8	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CN[5]O)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CN[5]O)(CH3)(NH3)(H)	H(NCHH)	109.8860	2.352	6	109.8860	5.532	6	109.7846	3.986	8	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:N-4:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	H(NCHH)	112.3257	3.040	6	112.3257	9.242	6	111.3780	7.798	9	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:N-4:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(NH3)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]2)(CH3)(NH3)(H)	H(NCHH)	109.4827	0.059	3	109.4827	0.003	3	111.3780	7.798	9	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CC[6a]HN)(NH3)(H)	H(NCHH)	109.4743	0.053	7	109.4743	0.003	7	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NH3)(H)	H(NCHH)	109.5622	2.474	25	109.5622	6.121	25	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCCH)(NH3)(H)	H(NCHH)	109.4257	1.015	3	109.4257	1.030	3	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CCHH)(NH3)(H)	H(NCHH)	107.6397	7.834	23	107.6397	61.373	23	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]CH)(NH3)(H)	H(NCHH)	109.4977	0.033	9	109.4977	0.001	9	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HN)(NH3)(H)	H(NCHH)	109.8571	1.880	73	109.8571	3.536	73	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CC[6a]HO)(NH3)(H)	H(NCHH)	109.6745	1.596	144	109.6745	2.548	144	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(H)	H(NCHH)	109.7675	1.746	664	109.7675	3.047	664	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]2)(CHHO)(NH3)(H)	H(NCHH)	109.4543	0.029	3	109.4543	0.001	3	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	H(NCHH)	N(CC[6a]CH)(H)3	C(C[6a]C[6a]N[6a])(CCCH)(NH3)(H)	H(NCHH)	110.9450	3.103	6	110.9450	9.627	6	109.7045	4.498	957	109.7206	4.538	974	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:3:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-4:C-3:	N-4:	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	H(NCHH)	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CH3)(NH3)(COO)	H(NCHH)	108.8867	1.539	3	108.8867	2.367	3	108.8867	2.367	3	108.8867	2.367	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CC[6a]N)(CH3)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CC[6a]N)(CH3)2(NH3)	H(NCHH)	109.4903	0.051	6	109.4903	0.003	6	109.4903	0.003	6	109.4878	0.002	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	3:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-4:	N-4:	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(NCHH)	N(CC[6a]CC)(H)3	C(C[6a]C[6a]2)(CCCH)(CH3)(NH3)	H(NCHH)	109.4827	0.019	3	109.4827	0.000	3	109.4827	0.000	3	109.4878	0.002	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)(H)3	C(NH3)(H)3	H(NCHH)	N(CH3)(H)3	C(NH3)(H)3	H(NCHH)	109.6243	1.846	453	109.6243	3.406	453	109.6243	3.406	453	109.6243	3.406	453	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CN)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CN)(H)2	H(NCHH)	110.8921	1.719	12	110.8921	2.955	12	110.8921	2.955	12	110.8921	2.955	12	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:2:2:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-2:C-2:H-1:	N-4:	N(CCCH)(H)3	C(NH3)(CN)2(H)	H(NCHH)	N(CCCH)(H)3	C(NH3)(CN)2(H)	H(NCHH)	110.1650	1.087	3	110.1650	1.181	3	110.1650	1.181	3	110.1650	1.181	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CCC)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CCC)(H)2	H(NCHH)	109.4583	0.016	3	109.4583	0.000	3	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CCH)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CCH)(H)2	H(NCHH)	110.2956	2.414	15	110.2956	5.826	15	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CCN)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CCN)(H)2	H(NCHH)	109.5657	0.063	3	109.5657	0.004	3	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CHH)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CHH)(H)2	H(NCHH)	109.4647	0.061	6	109.4647	0.004	6	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CHN)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CHN)(H)2	H(NCHH)	110.0737	12.218	6	110.0737	149.273	6	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(CNO)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(CNO)(H)2	H(NCHH)	109.8840	2.337	208	109.8840	5.463	208	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(H)3	C(NH3)(COO)(H)2	H(NCHH)	N(CCHH)(H)3	C(NH3)(COO)(H)2	H(NCHH)	110.1511	1.716	294	110.1511	2.945	294	110.0356	5.309	535	110.0356	5.309	535	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:H-1:	N-4:C-3:C-3:H-1:	N-4:	N(CCCH)(H)3	C(NH3)(CNO)2(H)	H(NCHH)	N(CCCH)(H)3	C(NH3)(CNO)2(H)	H(NCHH)	109.0330	2.926	3	109.0330	8.564	3	109.0330	8.564	3	109.0330	8.564	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-3:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HH)(CN[5]O)(NH3)(H)	H(NCHH)	109.4470	0.074	3	109.4470	0.005	3	109.4470	0.005	3	109.4602	0.003	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]C[5]H)(H)3	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	H(NCHH)	N(CC[6a]C[5]H)(H)3	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	H(NCHH)	109.4668	0.047	6	109.4668	0.002	6	109.4668	0.002	6	109.4602	0.003	9	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:C-1:C-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(C)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)(C)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	102.8450	0.000	1	102.8450	0.000	1	102.8450	0.000	1	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CBrHH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CBrHH)(NH3)(H)2	H(NCHH)	109.6282	0.469	9	109.6282	0.220	9	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC3)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC3)(NH3)(H)2	H(NCHH)	109.9838	4.954	20	109.9838	24.544	20	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCCH)(NH3)(H)2	H(NCHH)	109.8766	1.616	90	109.8766	2.613	90	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCCN)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCCN)(NH3)(H)2	H(NCHH)	109.4283	0.030	3	109.4283	0.001	3	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCFF)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCFF)(NH3)(H)2	H(NCHH)	112.7680	0.720	3	112.7680	0.518	3	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCHH)(NH3)(H)2	H(NCHH)	109.6589	1.787	2074	109.6589	3.192	2074	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCHN)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCHN)(NH3)(H)2	H(NCHH)	109.5957	1.449	87	109.5957	2.100	87	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CCHO)(NH3)(H)2	H(NCHH)	111.7127	2.174	34	111.7127	4.726	34	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[5]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[5]HH)(NH3)(H)2	H(NCHH)	109.7511	1.127	43	109.7511	1.271	43	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[5a]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[5a]HH)(NH3)(H)2	H(NCHH)	110.0888	1.816	46	110.0888	3.299	46	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6]HH)(NH3)(H)2	H(NCHH)	109.5400	1.389	22	109.5400	1.928	22	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6a]CH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6a]CH)(NH3)(H)2	H(NCHH)	110.1890	1.804	64	110.1890	3.256	64	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6a]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6a]HH)(NH3)(H)2	H(NCHH)	110.0869	1.791	348	110.0869	3.208	348	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CC[6a]HO)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CC[6a]HO)(NH3)(H)2	H(NCHH)	109.6571	1.359	21	109.6571	1.847	21	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CClHH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CClHH)(NH3)(H)2	H(NCHH)	109.4895	0.077	2	109.4895	0.006	2	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CF3)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CF3)(NH3)(H)2	H(NCHH)	109.4233	0.030	3	109.4233	0.001	3	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CFFH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CFFH)(NH3)(H)2	H(NCHH)	109.4880	0.058	6	109.4880	0.003	6	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CFHH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CFHH)(NH3)(H)2	H(NCHH)	109.6458	0.781	27	109.6458	0.609	27	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CH3)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CH3)(NH3)(H)2	H(NCHH)	109.7108	1.113	280	109.7108	1.239	280	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CHHI)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CHHI)(NH3)(H)2	H(NCHH)	109.4507	0.025	6	109.4507	0.001	6	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CHHN)(NH3)(H)2	H(NCHH)	109.8142	1.902	1705	109.8142	3.618	1705	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CHHO)(NH3)(H)2	H(NCHH)	109.7282	1.304	192	109.7282	1.701	192	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CHHP)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CHHP)(NH3)(H)2	H(NCHH)	109.5018	0.075	6	109.5018	0.006	6	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CHHS)(NH3)(H)2	H(NCHH)	109.9503	1.867	119	109.9503	3.484	119	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[5,5]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[5,5]HH)(NH3)(H)2	H(NCHH)	109.4810	0.011	2	109.4810	0.000	2	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[5]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[5]HH)(NH3)(H)2	H(NCHH)	109.4788	0.046	8	109.4788	0.002	8	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[5a]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[5a]HH)(NH3)(H)2	H(NCHH)	110.9340	2.095	5	110.9340	4.389	5	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(H)3	C(CN[6]HH)(NH3)(H)2	H(NCHH)	N(CCHH)(H)3	C(CN[6]HH)(NH3)(H)2	H(NCHH)	109.5792	1.407	101	109.5792	1.978	101	109.7757	3.191	5326	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:N-4:H-1:H-1:	N-4:	N(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]3)(NH3)(H)2	H(NCHH)	N(CC[3x6]HH)(H)3	C(C[3x6]C[6,6]3)(NH3)(H)2	H(NCHH)	111.7567	3.065	6	111.7567	9.396	6	111.7567	9.396	6	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(H)3	C(C[5]C[5]2Fe)(NH3)(H)2	H(NCHH)	N(CC[5]HH)(H)3	C(C[5]C[5]2Fe)(NH3)(H)2	H(NCHH)	109.8089	0.451	9	109.8089	0.204	9	110.0273	3.460	14	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(H)3	C(C[5]C[5]N[5]H)(NH3)(H)2	H(NCHH)	N(CC[5]HH)(H)3	C(C[5]C[5]N[5]H)(NH3)(H)2	H(NCHH)	109.4585	0.005	2	109.4585	0.000	2	110.0273	3.460	14	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(H)3	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	H(NCHH)	N(CC[5]HH)(H)3	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	H(NCHH)	111.0617	4.420	3	111.0617	19.535	3	110.0273	3.460	14	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6,6]C[6]C)(NH3)(H)2	H(NCHH)	109.4810	0.308	6	109.4810	0.095	6	109.9924	3.372	132	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]2C)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]2C)(NH3)(H)2	H(NCHH)	110.6358	2.600	59	110.6358	6.759	59	109.9924	3.372	132	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]2H)(NH3)(H)2	H(NCHH)	109.4724	0.293	59	109.4724	0.086	59	109.9924	3.372	132	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]2Ru)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]2Ru)(NH3)(H)2	H(NCHH)	109.4377	0.037	3	109.4377	0.001	3	109.9924	3.372	132	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(H)3	C(C[6]C[6]N[6]H)(NH3)(H)2	H(NCHH)	N(CC[6]HH)(H)3	C(C[6]C[6]N[6]H)(NH3)(H)2	H(NCHH)	109.4816	0.054	5	109.4816	0.003	5	109.9924	3.372	132	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)(H)3	C(NH3)(PO3)(H)2	H(NCHH)	N(CHHP)(H)3	C(NH3)(PO3)(H)2	H(NCHH)	110.6710	1.978	6	110.6710	3.911	6	110.6710	3.911	6	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CHHP)(H)3	C(PCCO)(NH3)(H)2	H(NCHH)	N(CHHP)(H)3	C(PCCO)(NH3)(H)2	H(NCHH)	110.3033	1.939	24	110.3033	3.761	24	109.8689	6.836	60	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CHHP)(H)3	C(PCOO)(NH3)(H)2	H(NCHH)	N(CHHP)(H)3	C(PCOO)(NH3)(H)2	H(NCHH)	109.5793	2.973	36	109.5793	8.837	36	109.8689	6.836	60	109.7843	3.252	5545	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CBrHH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CBrHH)(NH3)(COO)(H)	H(NCHH)	109.4550	0.011	3	109.4550	0.000	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCCH)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCH)(NH3)(CNO)(H)	H(NCHH)	110.4451	1.628	32	110.4451	2.649	32	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCCH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCH)(NH3)(COO)(H)	H(NCHH)	109.9895	1.675	166	109.9895	2.804	166	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCCO)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCO)(NH3)(COO)(H)	H(NCHH)	109.4653	0.029	3	109.4653	0.001	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(NH3)(CNO)(H)	H(NCHH)	109.8194	3.943	92	109.8194	15.545	92	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(NH3)(COO)(H)	H(NCHH)	109.9905	2.202	628	109.9905	4.848	628	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCHO)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHO)(NH3)(CNO)(H)	H(NCHH)	110.5477	2.247	3	110.5477	5.048	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CCHO)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHO)(NH3)(COO)(H)	H(NCHH)	109.5766	1.021	82	109.5766	1.042	82	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[5]HH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5]HH)(NH3)(COO)(H)	H(NCHH)	109.9919	1.464	98	109.9919	2.144	98	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(CNO)(H)	H(NCHH)	110.5627	3.469	9	110.5627	12.036	9	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5a]HH)(NH3)(COO)(H)	H(NCHH)	109.7859	1.749	70	109.7859	3.060	70	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6]HH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6]HH)(NH3)(COO)(H)	H(NCHH)	109.4760	0.036	3	109.4760	0.001	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]2H)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]2H)(NH3)(CNO)(H)	H(NCHH)	109.9510	2.611	3	109.9510	6.816	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(CNO)(H)	H(NCHH)	110.3805	2.333	46	110.3805	5.445	46	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HH)(NH3)(COO)(H)	H(NCHH)	109.7914	1.938	263	109.7914	3.755	263	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(CNO)(H)	H(NCHH)	111.1147	3.769	3	111.1147	14.203	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HO)(NH3)(COO)(H)	H(NCHH)	111.8110	3.182	6	111.8110	10.123	6	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CH3)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CH3)(NH3)(CNO)(H)	H(NCHH)	110.1058	1.715	81	110.1058	2.942	81	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CH3)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CH3)(NH3)(COO)(H)	H(NCHH)	109.6109	1.424	226	109.6109	2.028	226	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CHHO)(NH3)(CNO)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHO)(NH3)(CNO)(H)	H(NCHH)	110.6010	3.745	20	110.6010	14.022	20	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CHHO)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHO)(NH3)(COO)(H)	H(NCHH)	109.6962	1.835	158	109.6962	3.368	158	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CHHP)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHP)(NH3)(COO)(H)	H(NCHH)	109.5177	6.364	3	109.5177	40.504	3	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHS)(NH3)(COO)(H)	H(NCHH)	109.6839	1.457	130	109.6839	2.124	130	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(H)3	C(CSeHH)(NH3)(COO)(H)	H(NCHH)	N(CCCH)(H)3	C(CSeHH)(NH3)(COO)(H)	H(NCHH)	109.4845	0.012	2	109.4845	0.000	2	109.8869	4.176	2130	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[3]-4:N-4:C-3:H-1:	N-4:	N(CC[3]CH)(H)3	C(C[3]C[3]2H)(NH3)(COO)(H)	H(NCHH)	N(CC[3]CH)(H)3	C(C[3]C[3]2H)(NH3)(COO)(H)	H(NCHH)	109.4620	0.046	3	109.4620	0.002	3	109.4620	0.002	3	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-3:H-1:	N-4:	N(CC[5]CH)(H)3	C(C[5]C[5]2Mn)(NH3)(COO)(H)	H(NCHH)	N(CC[5]CH)(H)3	C(C[5]C[5]2Mn)(NH3)(COO)(H)	H(NCHH)	109.4417	0.054	3	109.4417	0.003	3	109.4596	0.002	5	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[5]-4:N-4:C-3:H-1:	N-4:	N(CC[5]CH)(H)3	C(C[5]C[5]2Re)(NH3)(COO)(H)	H(NCHH)	N(CC[5]CH)(H)3	C(C[5]C[5]2Re)(NH3)(COO)(H)	H(NCHH)	109.4865	0.016	2	109.4865	0.000	2	109.4596	0.002	5	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:N-4:C-3:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(NH3)(COO)(H)	H(NCHH)	109.9170	2.039	3	109.9170	4.159	3	109.9170	4.159	3	109.8854	4.159	2141	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCCH)(CCHH)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCH)(CCHH)(NH3)(H)	H(NCHH)	109.4633	0.019	6	109.4633	0.000	6	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCCH)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCH)(CH3)(NH3)(H)	H(NCHH)	113.1445	2.646	6	113.1445	7.000	6	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCCH)(CHHO)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCCH)(CHHO)(NH3)(H)	H(NCHH)	110.7587	1.529	3	110.7587	2.338	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(CF3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(CF3)(NH3)(H)	H(NCHH)	109.4810	0.035	2	109.4810	0.001	2	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(CFHP)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(CFHP)(NH3)(H)	H(NCHH)	109.4733	0.028	3	109.4733	0.001	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(CH3)(NH3)(H)	H(NCHH)	109.8693	1.285	28	109.8693	1.652	28	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(CHHO)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(CHHO)(NH3)(H)	H(NCHH)	111.1833	1.812	6	111.1833	3.282	6	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)(CHOO)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)(CHOO)(NH3)(H)	H(NCHH)	109.4824	0.027	8	109.4824	0.001	8	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHH)2(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHH)2(NH3)(H)	H(NCHH)	109.8018	1.186	92	109.8018	1.406	92	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHN)(CHHN)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHN)(CHHN)(NH3)(H)	H(NCHH)	111.0413	0.353	6	111.0413	0.124	6	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CCHN)2(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CCHN)2(NH3)(H)	H(NCHH)	110.8973	1.753	3	110.8973	3.072	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[5]HH)(CHHO)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5]HH)(CHHO)(NH3)(H)	H(NCHH)	109.7444	1.468	17	109.7444	2.156	17	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[5a]HH)(CHHO)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[5a]HH)(CHHO)(NH3)(H)	H(NCHH)	114.8670	9.429	3	114.8670	88.900	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]CH)(CH3)(NH3)(H)	H(NCHH)	113.5980	5.406	3	113.5980	29.222	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HH)(CCHH)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HH)(CCHH)(NH3)(H)	H(NCHH)	109.4765	0.032	11	109.4765	0.001	11	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HH)(CH3)(NH3)(H)	H(NCHH)	109.4469	2.030	34	109.4469	4.119	34	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CC[6a]HO)(CH3)(NH3)(H)	H(NCHH)	109.4540	0.033	2	109.4540	0.001	2	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CH3)2(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CH3)2(NH3)(H)	H(NCHH)	109.8069	1.073	43	109.8069	1.151	43	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHN)(CH3)(NH3)(H)	H(NCHH)	109.4681	0.565	79	109.4681	0.319	79	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CHHO)(CH3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHO)(CH3)(NH3)(H)	H(NCHH)	109.6442	2.141	6	109.6442	4.585	6	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CHHP)(CC3)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CHHP)(CC3)(NH3)(H)	H(NCHH)	111.3067	2.644	3	111.3067	6.989	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CN[6]HH)(CCCH)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CN[6]HH)(CCCH)(NH3)(H)	H(NCHH)	109.4817	0.025	3	109.4817	0.001	3	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(H)3	C(CNiOO)(CCHH)(NH3)(H)	H(NCHH)	N(CCCH)(H)3	C(CNiOO)(CCHH)(NH3)(H)	H(NCHH)	109.4645	0.043	2	109.4645	0.002	2	109.8632	2.688	369	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:H-1:	N-4:	N(CCHP)(H)3	C(CCHH)(NH3)(PO3)(H)	H(NCHH)	N(CCHP)(H)3	C(CCHH)(NH3)(PO3)(H)	H(NCHH)	109.8952	1.928	6	109.8952	3.717	6	109.9221	4.523	9	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:H-1:	N-4:	N(CCHP)(H)3	C(CH3)(NH3)(PO3)(H)	H(NCHH)	N(CCHP)(H)3	C(CH3)(NH3)(PO3)(H)	H(NCHH)	109.9760	2.965	3	109.9760	8.792	3	109.9221	4.523	9	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:N-4:H-1:	N-4:	N(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	H(NCHH)	N(CC[3x6]CH)(H)3	C(C[3x6]C[6,6]3)(CCHO)(NH3)(H)	H(NCHH)	109.4950	0.027	2	109.4950	0.001	2	109.4950	0.001	2	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CC[6]HN)(NH3)(H)	H(NCHH)	109.4607	0.036	3	109.4607	0.001	3	110.5648	3.254	18	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]2H)(CH3)(NH3)(H)	H(NCHH)	110.4649	1.705	12	110.4649	2.908	12	110.5648	3.254	18	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:N-4:H-1:	N-4:	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	H(NCHH)	N(CC[6]CH)(H)3	C(C[6]C[6]O[6]H)(CH3)(NH3)(H)	H(NCHH)	112.0683	2.527	3	112.0683	6.383	3	110.5648	3.254	18	109.8944	2.745	398	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	N-4:	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	H(NCHH)	N(CC3)(H)3	C(CCHH)(CH3)(NH3)(COO)	H(NCHH)	110.8415	2.125	15	110.8415	4.517	15	110.7515	4.215	45	110.7515	4.215	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	N-4:	N(CC3)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	H(NCHH)	N(CC3)(H)3	C(CC[6a]HH)(CH3)(NH3)(COO)	H(NCHH)	111.0930	2.905	3	111.0930	8.441	3	110.7515	4.215	45	110.7515	4.215	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	N-4:	N(CC3)(H)3	C(CH3)2(NH3)(COO)	H(NCHH)	N(CC3)(H)3	C(CH3)2(NH3)(COO)	H(NCHH)	110.3239	1.795	18	110.3239	3.223	18	110.7515	4.215	45	110.7515	4.215	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:3:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:C-3:	N-4:	N(CC3)(H)3	C(CSiHH)(CH3)(NH3)(COO)	H(NCHH)	N(CC3)(H)3	C(CSiHH)(CH3)(NH3)(COO)	H(NCHH)	111.3429	2.336	9	111.3429	5.457	9	110.7515	4.215	45	110.7515	4.215	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CCCH)(CCHH)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CCCH)(CCHH)2(NH3)	H(NCHH)	110.3370	1.855	3	110.3370	3.441	3	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CCHH)(CH3)2(NH3)	H(NCHH)	109.8741	1.162	30	109.8741	1.351	30	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CCHH)(CHHN)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CCHH)(CHHN)2(NH3)	H(NCHH)	112.6122	2.233	6	112.6122	4.984	6	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CC[6a]HH)(CH3)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CC[6a]HH)(CH3)2(NH3)	H(NCHH)	110.8665	1.701	11	110.8665	2.894	11	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CH3)3(NH3)	H(NCHH)	N(CC3)(H)3	C(CH3)3(NH3)	H(NCHH)	109.7715	1.183	168	109.7715	1.400	168	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	H(NCHH)	N(CC3)(H)3	C(CHHN)2(CH3)(NH3)	H(NCHH)	109.9940	2.497	16	109.9940	6.237	16	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CHHN)3(NH3)	H(NCHH)	N(CC3)(H)3	C(CHHN)3(NH3)	H(NCHH)	109.4795	0.027	11	109.4795	0.001	11	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CHHO)(CH3)2(NH3)	H(NCHH)	N(CC3)(H)3	C(CHHO)(CH3)2(NH3)	H(NCHH)	109.7762	0.896	23	109.7762	0.803	23	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(H)3	C(CHHO)3(NH3)	H(NCHH)	N(CC3)(H)3	C(CHHO)3(NH3)	H(NCHH)	110.8762	2.371	35	110.8762	5.621	35	110.0124	2.403	303	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-4:P-4:	N-4:	N(CCCP)(H)3	C(CH3)2(NH3)(PO3)	H(NCHH)	N(CCCP)(H)3	C(CH3)2(NH3)(PO3)	H(NCHH)	109.4738	0.047	14	109.4738	0.002	14	109.4738	0.002	14	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:P-4:	N-4:	N(CCPP)(H)3	C(CCHH)(NH3)(PO3)2	H(NCHH)	N(CCPP)(H)3	C(CCHH)(NH3)(PO3)2	H(NCHH)	111.1705	2.987	16	111.1705	8.925	16	110.2989	4.430	68	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C-4:N-4:P-4:P-4:	N-4:	N(CCPP)(H)3	C(CH3)(NH3)(PO3)2	H(NCHH)	N(CCPP)(H)3	C(CH3)(NH3)(PO3)2	H(NCHH)	110.0307	1.698	52	110.0307	2.883	52	110.2989	4.430	68	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:1:1:1:	4:4:4:4:	4:	C-4:H-1:H-1:H-1:	C[3]-4:N-4:P-4:P-4:	N-4:	N(CC[3]PP)(H)3	C(C[3]C[3]2H)(NH3)(PO3)2	H(NCHH)	N(CC[3]PP)(H)3	C(C[3]C[3]2H)(NH3)(PO3)2	H(NCHH)	112.7630	1.005	3	112.7630	1.011	3	112.7630	1.011	3	110.0644	2.728	388	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:C-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	109.0285	0.035	2	109.0285	0.001	2	109.0285	0.001	2	109.4459	0.099	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:H-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)	N(CC[6a]HH)(HH)(H)2	C(C[6a]C[6a,6a]C[6a])(NH3)(H)2	H(NCHH)	109.4440	0.052	2	109.4440	0.003	2	109.4440	0.003	2	109.4459	0.099	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	3:4:1:1:	4:	C-4:N-2:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NHHN)(H)2	H(NCHN)	N(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(NHHN)(H)2	H(NCHN)	109.7253	0.057	3	109.7253	0.003	3	109.7253	0.003	3	109.4459	0.099	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	3:4:4:1:	4:	C-4:O-2:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)(OH)(H)2	C(CC[6a]O)(NHHO)(CH3)(H)	H(NCHO)	N(CCCH)(OH)(H)2	C(CC[6a]O)(NHHO)(CH3)(H)	H(NCHO)	109.9000	8.034	2	109.9000	64.548	2	109.9000	64.548	2	109.9000	64.548	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	4:1:1:1:	4:	C-4:O-2:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)(OH)(H)2	C(NHHO)(H)3	H(NCHO)	N(CH3)(OH)(H)2	C(NHHO)(H)3	H(NCHO)	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	107.4840	0.023	2	107.4840	0.001	2	107.4840	0.001	2	109.8025	1.066	13	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(OC)(H)2	C(CCHH)(NHHO)(H)2	H(NCHO)	N(CCHH)(OC)(H)2	C(CCHH)(NHHO)(H)2	H(NCHO)	110.2230	0.112	8	110.2230	0.013	8	110.2240	0.009	11	109.8025	1.066	13	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:2:1:1:	4:4:1:1:	4:	C-4:O-2:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(OC)(H)2	C(CHHN)(NHHO)(H)2	H(NCHO)	N(CCHH)(OC)(H)2	C(CHHN)(NHHO)(H)2	H(NCHO)	110.2267	0.026	3	110.2267	0.001	3	110.2240	0.009	11	109.8025	1.066	13	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	3:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	109.5705	0.636	2	109.5705	0.404	2	109.5705	0.404	2	109.5705	0.404	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]CH)(CC[6a]H)(H)2	C(C[6a]C[6a]2)(NCHH)(COO)(H)	H(NCCH)	112.3570	8.174	2	112.3570	66.817	2	112.3570	66.817	2	112.3570	66.817	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)(NCH)(H)2	C(NHHN)(H)3	H(NCHN)	N(CH3)(NCH)(H)2	C(NHHN)(H)3	H(NCHN)	108.6415	2.988	2	108.6415	8.925	2	108.7909	1.338	45	108.7909	1.338	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:1:1:1:	4:	C-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)(NHH)(H)2	C(NHHN)(H)3	H(NCHN)	N(CH3)(NHH)(H)2	C(NHHN)(H)3	H(NCHN)	108.7978	1.090	43	108.7978	1.188	43	108.7909	1.338	45	108.7909	1.338	45	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCHH)(CCH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	113.0311	11.952	6	113.0311	142.858	6	113.0311	142.858	6	111.4139	111.008	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:1:1:	4:	C-4:C-3:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]2H)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CC[5a]O)(H)2	C(C[5]C[5]2H)(NCHH)(H)2	H(NCCH)	106.5625	0.033	2	106.5625	0.001	2	106.5625	0.001	2	111.4139	111.008	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	H(NCCH)	N(CCCH)(CNO)(H)2	C(CCCH)(CHHN)(NCHH)(H)	H(NCCH)	107.3535	0.100	2	107.3535	0.010	2	107.3535	0.010	2	108.2630	3.454	10	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	N(CCCH)(CCC)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	108.8773	3.042	4	108.8773	9.255	4	108.8773	9.255	4	108.2630	3.454	10	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:1:	4:	C-4:S-3:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	H(NCHS)	N(CC[5]CH)(SCO)(H)2	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	H(NCHS)	108.1035	0.127	4	108.1035	0.016	4	108.1035	0.016	4	108.2630	3.454	10	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CC3)(CCO)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CC3)(CCO)(H)2	C(NCHH)(CH3)3	H(NCCH)	106.2550	0.066	2	106.2550	0.004	2	106.2550	0.004	2	108.2485	3.269	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	H(NCHN)	N(CC3)(NCH)(H)2	C(CCHH)(NHHN)(CH3)2	H(NCHN)	109.2430	1.297	2	109.2430	1.682	2	109.2430	1.682	2	108.2485	3.269	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:3:1:1:	4:4:4:4:	4:	C-4:N-3:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CC3)(NHH)(H)2	C(NHHN)(CH3)3	H(NCHN)	N(CC3)(NHH)(H)2	C(NHHN)(CH3)3	H(NCHN)	109.2475	1.654	2	109.2475	2.735	2	109.2475	2.735	2	108.2485	3.269	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N-4:	N(C[5]C[5]2H)(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(NC[5]HH)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]3)(H)2	C(C[6a]C[6a]2)3(NC[5]HH)	H(NC[5]CH)	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	H(NCCH)	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	H(NCCH)	110.1527	2.744	6	110.1527	7.531	6	109.4869	12.607	8	109.4869	12.607	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	H(NCCH)	N(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	H(NCCH)	107.4895	6.321	2	107.4895	39.953	2	109.4869	12.607	8	109.4869	12.607	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	B-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	H(NBCH)	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	H(NBCH)	107.8307	0.959	10	107.8307	0.919	10	107.8307	0.919	10	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	B[6a]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	H(NB[6a]CH)	N(B[6a]C[6a]O[6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NB[6a]HH)(H)2	H(NB[6a]CH)	108.7108	0.914	6	108.7108	0.836	6	108.7108	0.836	6	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	H(NBCH)	N(CC[6a]HH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	H(NBCH)	109.4160	0.863	2	109.4160	0.744	2	109.4160	0.744	2	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(H)2	H(NCCH)	107.9820	1.627	4	107.9820	2.648	4	107.9820	2.648	4	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	H(NCCH)	107.1681	6.247	4	107.1681	39.028	4	107.4807	29.760	5	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	H(NCCH)	108.7310	0.000	1	108.7310	0.000	1	107.4807	29.760	5	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	H(NCCH)	108.3800	0.000	1	108.3800	0.000	1	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]O[5a])(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]O[5a])(NCHH)(H)2	H(NCCH)	109.1882	0.793	4	109.1882	0.628	4	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	H(NCCH)	109.4350	1.833	2	109.4350	3.359	2	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(NCCH)	108.5030	2.248	4	108.5030	5.055	4	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(NCCH)	108.8477	0.384	14	108.8477	0.148	14	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(NCHH)(H)2	H(NCCH)	108.7130	0.020	2	108.7130	0.000	2	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	H(NCCH)	108.7530	0.007	2	108.7530	0.000	2	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	H(NCCH)	109.8991	1.809	10	109.8991	3.272	10	109.1232	1.626	39	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	107.4377	3.744	4	107.4377	14.020	4	109.1793	6.404	47	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	109.2951	2.487	35	109.2951	6.183	35	109.1793	6.404	47	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(NCHH)(H)2	H(NCCH)	109.6295	4.487	2	109.6295	20.130	2	109.1793	6.404	47	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	H(NCCH)	109.5143	1.302	6	109.5143	1.694	6	109.1793	6.404	47	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	109.0518	1.366	10	109.0518	1.866	10	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.8432	1.887	4	108.8432	3.561	4	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.2446	2.110	14	108.2446	4.453	14	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(NCCH)	108.9270	0.000	1	108.9270	0.000	1	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.4217	1.619	47	108.4217	2.622	47	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	108.4396	1.508	5	108.4396	2.275	5	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	H(NCCH)	108.6518	0.047	4	108.6518	0.002	4	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(NCCH)	108.9513	0.568	21	108.9513	0.323	21	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	H(NCCH)	109.6180	1.464	6	109.6180	2.144	6	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.9534	1.523	429	108.9534	2.320	429	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	108.8540	1.091	36	108.8540	1.191	36	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	109.1863	1.687	4	109.1863	2.845	4	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	107.5152	2.620	6	107.5152	6.865	6	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	109.0206	0.457	69	109.0206	0.209	69	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.8191	3.708	8	108.8191	13.750	8	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.2585	4.037	2	108.2585	16.296	2	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.6301	1.057	23	108.6301	1.117	23	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	109.9183	1.520	4	109.9183	2.310	4	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	106.8988	2.628	4	106.8988	6.905	4	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	110.7007	1.663	6	110.7007	2.765	6	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	H(NCCH)	109.5475	1.418	6	109.5475	2.011	6	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	H(NCCH)	108.9492	1.573	146	108.9492	2.474	146	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	H(NCCH)	109.1071	1.653	35	109.1071	2.731	35	108.9126	2.302	890	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CP[6]HH)(H)2	C(P[6]C[6]2)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CP[6]HH)(H)2	C(P[6]C[6]2)(NCHH)(H)2	H(NCCH)	109.0487	1.162	4	109.0487	1.351	4	109.0487	1.351	4	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[3x6]HH)(H)2	H(NC[3x6]CH)	107.8753	6.895	12	107.8753	47.546	12	107.9120	40.240	14	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[3x6]HH)(H)2	H(NC[3x6]CH)	108.1325	0.019	2	108.1325	0.000	2	107.9120	40.240	14	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(NC[5,6]CH)	107.1975	4.689	2	107.1975	21.985	2	108.1160	5.251	6	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	H(NC[5,6]CH)	108.5752	0.762	4	108.5752	0.580	4	108.1160	5.251	6	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(H)2	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(H)2	H(NC[5]CH)	108.6475	0.048	4	108.6475	0.002	4	108.7772	0.021	8	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	H(NC[5]CH)	108.9070	0.041	4	108.9070	0.002	4	108.7772	0.021	8	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2)(NC[6]HH)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]2)(NC[6]HH)(H)2	H(NC[6]CH)	108.8954	0.407	14	108.8954	0.166	14	108.8534	0.157	16	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(NC[6]HH)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(NC[6]HH)(H)2	H(NC[6]CH)	108.5595	0.021	2	108.5595	0.000	2	108.8534	0.157	16	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(NC[6]CH)	N(C[6]C[6]2C)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(NC[6]CH)	105.5618	2.596	4	105.5618	6.741	4	107.7464	5.224	26	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(H)2	H(NC[6]CH)	108.1436	2.045	22	108.1436	4.181	22	107.7464	5.224	26	108.8645	3.078	1077	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:C-3:H-1:	N-4:	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(COO)(H)	H(NCCH)	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(COO)(H)	H(NCCH)	108.7707	9.747	4	108.7707	95.005	4	108.7707	95.005	4	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	H(NCCH)	N(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	H(NCCH)	108.0710	0.020	2	108.0710	0.000	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CCCP)(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	H(NCCH)	N(CC[6a]CH)(CCCP)(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	H(NCCH)	109.1555	0.821	2	109.1555	0.674	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	H(NCCH)	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	H(NCCH)	110.1400	2.027	2	110.1400	4.107	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	H(NCCH)	107.6685	4.092	2	107.6685	16.745	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	H(NCCH)	108.5525	0.022	2	108.5525	0.000	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	H(NCCH)	108.6365	0.045	2	108.6365	0.002	2	108.7040	2.642	12	108.7207	20.939	16	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:B-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	H(NBCH)	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	H(NBCH)	107.3560	0.047	2	107.3560	0.002	2	107.3560	0.002	2	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:C-4:N-4:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	H(NCCH)	108.6880	7.688	2	108.6880	59.100	2	108.6880	59.100	2	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)(CC3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CC3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	107.5083	0.314	4	107.5083	0.099	4	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	108.2777	0.496	4	108.2777	0.246	4	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	H(NCCH)	109.6549	1.358	28	109.6549	1.845	28	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(CN[5]O)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)2(H)2	C(CN[5]O)(NCHH)(CH3)(H)	H(NCCH)	108.9863	1.067	6	108.9863	1.138	6	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(CN[6]O)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)2(H)2	C(CN[6]O)(NCHH)(CH3)(H)	H(NCCH)	109.0900	0.017	2	109.0900	0.000	2	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]C)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]C)(NCHH)(CH3)(H)	H(NCCH)	109.6000	2.459	2	109.6000	6.048	2	109.2343	1.862	46	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-4:H-1:	N-4:	N(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	H(NCCH)	N(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	H(NCCH)	113.3007	1.336	4	113.3007	1.786	4	113.3007	1.786	4	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(NCCH)	108.4370	0.024	2	108.4370	0.001	2	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	H(NCCH)	105.7025	2.362	2	105.7025	5.581	2	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	H(NCCH)	108.3973	0.261	6	108.3973	0.068	6	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	H(NCCH)	108.7030	0.069	5	108.7030	0.005	5	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	H(NCCH)	108.2598	1.859	6	108.2598	3.456	6	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	H(NCCH)	108.4532	0.125	5	108.4532	0.016	5	108.2309	1.507	26	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	108.7560	0.035	2	108.7560	0.001	2	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	H(NCCH)	108.8967	0.109	4	108.8967	0.012	4	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	107.3685	1.474	2	107.3685	2.174	2	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	108.5885	0.069	2	108.5885	0.005	2	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	107.9587	1.550	16	107.9587	2.403	16	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]PtH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	N(CC[6a]PtH)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	H(NCCH)	105.9600	3.459	2	105.9600	11.966	2	108.0098	2.386	28	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	N-4:	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(NCCH)	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(NCCH)	111.0245	1.804	2	111.0245	3.254	2	109.7062	3.549	6	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	N-4:	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	H(NCCH)	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	H(NCCH)	109.5465	2.877	2	109.5465	8.278	2	109.7062	3.549	6	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	N-4:	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(NCCH)	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(NCCH)	108.5475	0.019	2	108.5475	0.000	2	109.7062	3.549	6	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(NCHS)	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	H(NCHS)	107.0540	0.055	4	107.0540	0.003	4	107.0540	0.003	4	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	H(NC[5]CH)	108.1465	0.216	8	108.1465	0.047	8	108.1465	0.047	8	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	H(NC[6]CH)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C(C[6a]C[6a,6a]C[6a])(NC[6]HH)(CH3)(H)	H(NC[6]CH)	108.0385	0.466	4	108.0385	0.217	4	107.8533	11.653	12	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	H(NC[6]CH)	N(C[6]C[6]2H)(CC[6a]CH)(H)2	C(C[6a]C[6a]2)(NC[6]HH)(CH3)(H)	H(NC[6]CH)	107.7608	4.265	8	107.7608	18.189	8	107.8533	11.653	12	108.6537	3.976	138	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:3:	4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:C-3:	N-4:	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	H(NCCH)	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	H(NCCH)	107.7885	0.015	2	107.7885	0.000	2	107.7885	0.000	2	107.7885	0.000	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:C-4:	N-4:	N(CC3)2(H)2	C(CC[6a]C)(NCHH)(CH3)2	H(NCCH)	N(CC3)2(H)2	C(CC[6a]C)(NCHH)(CH3)2	H(NCCH)	105.1625	0.292	2	105.1625	0.085	2	105.5467	1.553	6	105.5776	1.113	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:C-4:	N-4:	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(CH3)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(CH3)2	H(NCCH)	105.7387	1.553	4	105.7387	2.413	4	105.5467	1.553	6	105.5776	1.113	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	3:4:4:4:	4:	C-4:S-4:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	N-4:	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	H(NCHS)	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	H(NCHS)	105.6705	0.015	2	105.6705	0.000	2	105.6705	0.000	2	105.5776	1.113	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BCHH)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BCHH)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	109.0215	1.056	2	109.0215	1.115	2	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BCl2N)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BCl2N)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	108.6905	2.241	4	108.6905	5.023	4	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BH3)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	108.3490	0.000	1	108.3490	0.000	1	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	108.7647	2.552	15	108.7647	6.515	15	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHP)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BHHP)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	108.8218	1.060	4	108.8218	1.124	4	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHS)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	N(BHHS)(CH3)(H)2	C(NBHH)(H)3	H(NBCH)	108.2750	0.475	2	108.2750	0.226	2	108.7308	4.140	28	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:D-1:D-1:D-1:	N-4:	N(CCHH)(CD3)(H)2	C(NCHH)(D)3	H(NCCH)	N(CCHH)(CD3)(H)2	C(NCHH)(D)3	H(NCCH)	107.7080	2.401	2	107.7080	5.766	2	107.7080	5.766	2	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC3)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC3)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	107.7505	0.009	2	107.7505	0.000	2	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CCCH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	108.4320	2.020	126	108.4320	4.080	126	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CCHH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	108.4364	2.107	236	108.4364	4.438	236	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5]HH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC[5]HH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	109.1564	0.252	25	109.1564	0.063	25	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]2H)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC[6a]2H)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	109.5810	4.814	2	109.5810	23.174	2	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]CC)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC[6a]CC)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	107.6775	0.040	2	107.6775	0.002	2	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]CH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC[6a]CH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	109.5182	1.684	8	109.5182	2.837	8	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	N(CC[6a]HH)(CH3)(H)2	C(NCHH)(H)3	H(NCCH)	109.2198	1.517	25	109.2198	2.302	25	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)2(H)2	C(NCHH)(H)3	H(NCCH)	N(CH3)2(H)2	C(NCHH)(H)3	H(NCCH)	108.6529	3.735	1521	108.6529	13.947	1521	108.6287	11.764	1947	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[3x6]C[6,6]3)(CH3)(H)2	C(NC[3x6]HH)(H)3	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CH3)(H)2	C(NC[3x6]HH)(H)3	H(NC[3x6]CH)	105.5810	3.237	6	105.5810	10.479	6	105.5810	10.479	6	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C[5,6]-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C(NC[5,6]HH)(H)3	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C(NC[5,6]HH)(H)3	H(NC[5,6]CH)	107.8812	2.034	4	107.8812	4.137	4	107.8812	4.137	4	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	108.3918	0.429	4	108.3918	0.184	4	108.1736	3.044	34	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	N(C[6]C[6]2H)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	108.0706	2.268	16	108.0706	5.143	16	108.1736	3.044	34	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6a]C[6]2)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	N(C[6]C[6a]C[6]2)(CH3)(H)2	C(NC[6]HH)(H)3	H(NC[6]CH)	108.2289	1.311	14	108.2289	1.719	14	108.1736	3.044	34	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:1:1:1:	4:	Ga-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(GaH3)(CH3)(H)2	C(NGaHH)(H)3	H(NGaCH)	N(GaH3)(CH3)(H)2	C(NGaHH)(H)3	H(NGaCH)	107.9185	0.025	2	107.9185	0.001	2	107.9185	0.001	2	108.6103	11.495	2023	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(NCHH)(CC)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(NCHH)(CC)(H)2	H(NCCH)	108.0553	0.016	4	108.0553	0.000	4	108.0553	0.000	4	108.0553	0.000	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	B[5]-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(B[5]O[5]2H)(CCHH)(H)2	C(NB[5]HH)(CCH)(H)2	H(NB[5]CH)	N(B[5]O[5]2H)(CCHH)(H)2	C(NB[5]HH)(CCH)(H)2	H(NB[5]CH)	108.2005	0.018	2	108.2005	0.000	2	108.2005	0.000	2	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	109.2940	1.533	2	109.2940	2.350	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	106.6286	5.096	12	106.6286	25.966	12	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CD3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CCHH)(CD3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	110.3405	0.261	2	110.3405	0.068	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	109.4826	1.108	70	109.4826	1.228	70	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CHHP)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CCHH)(CHHP)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	108.0745	0.921	2	108.0745	0.849	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CCC)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CCC)(H)2	H(NCCH)	107.9090	0.322	2	107.9090	0.104	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	107.8940	0.095	2	107.8940	0.009	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CCO)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CCO)(H)2	H(NCCH)	109.1850	0.237	3	109.1850	0.056	3	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CNO)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CNO)(H)2	H(NCCH)	109.8655	3.057	2	109.8655	9.344	2	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(COO)(H)2	H(NCCH)	108.6920	1.647	22	108.6920	2.712	22	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[5a]CH)(CCHH)(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	N(CC[5a]CH)(CCHH)(H)2	C(NCHH)(CCH)(H)2	H(NCCH)	106.8995	2.590	4	106.8995	6.707	4	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(COO)(H)2	H(NCCH)	108.0632	4.537	4	108.0632	20.588	4	108.8875	5.074	127	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-3:H-1:H-1:	N-4:	N(CCCH)(CHHP)(H)2	C(NCHH)(PCC)(H)2	H(NCCH)	N(CCCH)(CHHP)(H)2	C(NCHH)(PCC)(H)2	H(NCCH)	108.3057	0.095	15	108.3057	0.009	15	108.3057	0.009	15	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C[3x6]-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[3x6]C[6,6]3)(CCHH)(H)2	C(NC[3x6]HH)(CCH)(H)2	H(NC[3x6]CH)	N(C[3x6]C[6,6]3)(CCHH)(H)2	C(NC[3x6]HH)(CCH)(H)2	H(NC[3x6]CH)	107.7085	0.055	4	107.7085	0.003	4	107.7085	0.003	4	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(COO)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(COO)(H)2	H(NC[6]CH)	110.4618	1.291	6	110.4618	1.666	6	110.4618	1.666	6	108.8526	4.406	154	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	B-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(BHHN)(CCHH)(H)2	C(NBHH)(CH3)(H)2	H(NBCH)	N(BHHN)(CCHH)(H)2	C(NBHH)(CH3)(H)2	H(NBCH)	109.7655	1.630	2	109.7655	2.657	2	109.7655	2.657	2	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(BH3)(H)2	C(CCHH)(NBHH)(H)2	H(NBCH)	N(CCHH)(BH3)(H)2	C(CCHH)(NBHH)(H)2	H(NBCH)	108.3890	0.030	2	108.3890	0.001	2	108.5620	0.040	4	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(BH3)(H)2	C(CN[5]HH)(NBHH)(H)2	H(NBCH)	N(CCHH)(BH3)(H)2	C(CN[5]HH)(NBHH)(H)2	H(NBCH)	108.7350	0.018	2	108.7350	0.000	2	108.5620	0.040	4	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	109.0343	2.806	16	109.0343	7.873	16	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	109.4427	1.054	12	109.4427	1.110	12	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	108.5156	0.976	12	108.5156	0.953	12	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	108.1811	2.576	14	108.1811	6.637	14	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	108.2111	1.576	66	108.2111	2.482	66	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	108.4169	1.801	16	108.4169	3.244	16	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.0300	0.024	2	108.0300	0.001	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	108.2835	0.727	6	108.2835	0.528	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	108.6408	1.851	6	108.6408	3.424	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	109.5830	3.231	4	109.5830	10.436	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	108.2267	0.867	20	108.2267	0.751	20	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	108.1506	3.108	40	108.1506	9.658	40	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	108.8102	1.650	8	108.8102	2.723	8	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(CN[5]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CN[5]HH)(NCHH)(H)2	H(NCCH)	109.1165	0.885	2	109.1165	0.783	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CCHP)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CCHP)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	108.2640	0.016	2	108.2640	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CBrHH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CBrHH)(NCHH)(H)2	H(NCCH)	109.0510	0.813	2	109.0510	0.661	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	109.6855	4.784	47	109.6855	22.886	47	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	110.3625	2.190	2	110.3625	4.796	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CC[5a]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CC[5a]HH)(NCHH)(H)2	H(NCCH)	107.4100	0.668	2	107.4100	0.446	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	110.2365	0.766	2	110.2365	0.586	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	109.3180	3.149	4	109.3180	9.917	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	H(NCCH)	109.3380	3.021	20	109.3380	9.128	20	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	109.1318	1.433	83	109.1318	2.053	83	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	N(CCHH)(CH3)(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	108.4115	0.153	2	108.4115	0.024	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHPP)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CCHH)(CHPP)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.2418	2.249	6	108.2418	5.057	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CBrHH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CBrHH)(NCHH)(H)2	H(NCCH)	108.9737	0.269	15	108.9737	0.072	15	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	H(NCCH)	108.5498	0.432	21	108.5498	0.187	21	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	H(NCCH)	109.0193	1.933	16	109.0193	3.735	16	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCFH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCFH)(NCHH)(H)2	H(NCCH)	108.7045	3.729	4	108.7045	13.904	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.5142	2.219	390	108.5142	4.924	390	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCHN)(NCHH)(H)2	H(NCCH)	108.7970	0.065	2	108.7970	0.004	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CCHO)(NCHH)(H)2	H(NCCH)	107.6527	1.639	4	107.6527	2.686	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CC[5]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CC[5]HH)(NCHH)(H)2	H(NCCH)	108.2265	6.205	2	108.2265	38.500	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CC[6]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CC[6]HH)(NCHH)(H)2	H(NCCH)	109.0937	0.638	10	109.0937	0.407	10	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	109.3173	0.031	3	109.3173	0.001	3	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	108.7175	0.074	2	108.7175	0.006	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	108.6786	1.911	753	108.6786	3.654	753	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	108.8400	1.893	86	108.8400	3.583	86	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	108.6228	0.910	15	108.6228	0.828	15	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CN[5a]HH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CN[5a]HH)(NCHH)(H)2	H(NCCH)	108.8440	1.476	2	108.8440	2.180	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(CSiHH)(NCHH)(H)2	H(NCCH)	N(CCHH)2(H)2	C(CSiHH)(NCHH)(H)2	H(NCCH)	107.7140	0.011	2	107.7140	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	109.4765	0.223	2	109.4765	0.050	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	109.0267	0.381	10	109.0267	0.145	10	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CCHH)(H)2	C(CN[6]HH)(NCHH)(H)2	H(NCCH)	108.5075	0.054	2	108.5075	0.003	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	107.6650	1.889	5	107.6650	3.568	5	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	108.7925	0.253	6	108.7925	0.064	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	108.5519	2.473	26	108.5519	6.113	26	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]2H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[6a]2H)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.4235	0.006	2	108.4235	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CCHH)(H)2	C(CC[5]HH)(NCHH)(H)2	H(NCCH)	N(CC[6a]CH)(CCHH)(H)2	C(CC[5]HH)(NCHH)(H)2	H(NCCH)	107.8145	0.285	2	107.8145	0.081	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HN)(NCHH)(H)2	H(NCCH)	N(CC[6a]CH)(CCHH)(H)2	C(CC[6a]HN)(NCHH)(H)2	H(NCCH)	108.9035	0.093	4	108.9035	0.009	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.4772	1.992	90	108.4772	3.966	90	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[4]HH)(NCHH)(H)2	H(NCCH)	109.0265	0.006	2	109.0265	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	H(NCCH)	108.5385	3.198	2	108.5385	10.229	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	H(NCCH)	108.0810	1.210	6	108.0810	1.465	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CO)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]CO)(NCHH)(H)2	H(NCCH)	108.6040	0.013	2	108.6040	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	H(NCCH)	109.6797	3.999	4	109.6797	15.991	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CClHH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CClHH)(NCHH)(H)2	H(NCCH)	108.7355	0.008	2	108.7355	0.000	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	H(NCCH)	108.8253	1.250	358	108.8253	1.562	358	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	108.4491	1.289	11	108.4491	1.662	11	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CHHS)(NCHH)(H)2	H(NCCH)	108.9087	0.254	6	108.9087	0.065	6	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(CN[5]HH)(NCHH)(H)2	H(NCCH)	108.7943	0.203	4	108.7943	0.041	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HP)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	N(CC[6a]HP)(CCHH)(H)2	C(CHHO)(NCHH)(H)2	H(NCCH)	107.3028	1.621	4	107.3028	2.628	4	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]PtH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	N(CC[6a]PtH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	H(NCCH)	108.3470	0.025	2	108.3470	0.001	2	108.6891	3.897	2275	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CCCH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	105.9935	0.018	2	105.9935	0.000	2	108.9888	0.345	94	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	109.1530	0.083	2	109.1530	0.007	2	108.9888	0.345	94	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	N(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	109.1584	0.262	25	109.1584	0.069	25	108.9888	0.345	94	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	H(NCCH)	108.4563	0.022	3	108.4563	0.000	3	108.9888	0.345	94	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	H(NCCH)	109.0376	0.419	62	109.0376	0.175	62	108.9888	0.345	94	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6,6]-4:N-4:H-1:H-1:	N-4:	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	H(NCCH)	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	H(NCCH)	108.7780	0.033	2	108.7780	0.001	2	108.7780	0.001	2	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	H(NCCH)	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	H(NCCH)	108.6940	0.027	2	108.6940	0.001	2	107.4885	2.393	8	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CC3)(H)2	C(C[6]C[6]O[6]O)(NCHH)(H)2	H(NCCH)	N(CC[6]HH)(CC3)(H)2	C(C[6]C[6]O[6]O)(NCHH)(H)2	H(NCCH)	106.3930	1.010	4	106.3930	1.020	4	107.4885	2.393	8	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	H(NCCH)	108.4740	2.011	2	108.4740	4.044	2	107.4885	2.393	8	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	112.8270	1.710	2	112.8270	2.923	2	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	108.9797	1.080	4	108.9797	1.165	4	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	108.7445	0.658	2	108.7445	0.433	2	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	110.6419	1.129	7	110.6419	1.274	7	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CCHH)2(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	108.7582	1.383	307	108.7582	1.912	307	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CC[5]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	108.4153	3.811	4	108.4153	14.521	4	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]2H)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CC[6a]2H)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	107.3235	1.836	4	107.3235	3.370	4	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CC3)(H)2	H(NCCH)	106.9380	1.636	2	106.9380	2.677	2	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	N(CC[6a]HH)(CCHH)(H)2	C(NCHH)(CH3)(H)2	H(NCCH)	108.8705	0.035	2	108.8705	0.001	2	108.7931	2.189	334	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)(H)2	C(NCHH)(PO3)(H)2	H(NCCH)	N(CCHH)(CHHP)(H)2	C(NCHH)(PO3)(H)2	H(NCCH)	113.5730	0.745	2	113.5730	0.555	2	108.2988	14.325	50	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CHHP)(H)2	C(NCHH)(PHOO)(H)2	H(NCCH)	N(CC[6a]HH)(CHHP)(H)2	C(NCHH)(PHOO)(H)2	H(NCCH)	112.4873	7.605	4	112.4873	57.836	4	108.2988	14.325	50	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)2(H)2	C(NCHH)(PO3)(H)2	H(NCCH)	N(CHHP)2(H)2	C(NCHH)(PO3)(H)2	H(NCCH)	107.6783	2.993	44	107.6783	8.957	44	108.2988	14.325	50	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CHHP)2(H)2	C(PC[6a]NiC)(NCHH)(H)2	H(NCCH)	N(CHHP)2(H)2	C(PC[6a]NiC)(NCHH)(H)2	H(NCCH)	107.8665	0.036	4	107.8665	0.001	4	107.8665	0.001	4	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:H-1:	P[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CP[6]HH)(H)2	C(P[6]C[6]2Pd)(NCHH)(H)2	H(NCCH)	N(CC[6a]HH)(CP[6]HH)(H)2	C(P[6]C[6]2Pd)(NCHH)(H)2	H(NCCH)	109.6965	3.535	2	109.6965	12.495	2	109.6965	12.495	2	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(NH3)(H)2	C(CHHO)(NHHN)(H)2	H(NCHN)	N(CCHH)(NH3)(H)2	C(CHHO)(NHHN)(H)2	H(NCHN)	111.8900	2.121	2	111.8900	4.500	2	111.8900	4.500	2	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	H(NC[5]CH)	N(C[5]C[5]2C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	H(NC[5]CH)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CCHH)(H)2	C(NC[5]HH)(CHHN)(H)2	H(NC[5]CH)	N(C[5]C[5]2H)(CCHH)(H)2	C(NC[5]HH)(CHHN)(H)2	H(NC[5]CH)	108.6854	0.045	8	108.6854	0.002	8	108.6854	0.002	8	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(NC[6]HH)(CH3)(H)2	H(NC[6]CH)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C(NC[6]HH)(CH3)(H)2	H(NC[6]CH)	108.3230	1.297	2	108.3230	1.682	2	108.4246	9.317	47	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	H(NC[6]CH)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	H(NC[6]CH)	111.7570	0.382	2	111.7570	0.146	2	108.4246	9.317	47	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CCHH)(H)2	H(NC[6]CH)	108.2257	3.018	37	108.2257	9.111	37	108.4246	9.317	47	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHN)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHN)(H)2	H(NC[6]CH)	109.5710	1.351	2	109.5710	1.824	2	108.4246	9.317	47	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHO)(H)2	H(NC[6]CH)	N(C[6]C[6]2H)(CCHH)(H)2	C(NC[6]HH)(CHHO)(H)2	H(NC[6]CH)	108.0757	4.836	4	108.0757	23.385	4	108.4246	9.317	47	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	Ga-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(GaCl3)(CCHH)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	H(NGaCH)	N(GaCl3)(CCHH)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	H(NGaCH)	107.7455	0.036	2	107.7455	0.001	2	107.7455	0.001	2	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:1:1:	4:	In-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(InTe2N)(CCHH)(H)2	C(NInHH)(CHHN)(H)2	H(NInCH)	N(InTe2N)(CCHH)(H)2	C(NInHH)(CHHN)(H)2	H(NInCH)	109.2862	0.420	6	109.2862	0.176	6	109.2862	0.176	6	108.6996	3.823	2841	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	111.1880	1.061	2	111.1880	1.125	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(NCCH)	109.1141	4.809	8	109.1141	23.127	8	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(NCCH)	108.7063	0.094	3	108.7063	0.009	3	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CCCH)(NCHH)(CNO)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CCCH)(NCHH)(CNO)(H)	H(NCCH)	108.9030	0.021	2	108.9030	0.000	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(CNO)(H)	H(NCCH)	108.6615	0.084	2	108.6615	0.007	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	110.7235	1.377	2	110.7235	1.895	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)2(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)2(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	108.5325	0.206	4	108.5325	0.043	4	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	108.9636	1.179	12	108.9636	1.390	12	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)2(H)2	C(CCHO)(NCHH)(CCH)(H)	H(NCCH)	N(CCCH)2(H)2	C(CCHO)(NCHH)(CCH)(H)	H(NCCH)	108.5940	0.888	2	108.5940	0.789	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)2(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(NCCH)	N(CCCH)2(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	H(NCCH)	108.5923	0.485	3	108.5923	0.236	3	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]CH)(CCCH)(H)2	C(CC[5a]HH)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]CH)(CCCH)(H)2	C(CC[5a]HH)(NCHH)(COO)(H)	H(NCCH)	108.0425	0.021	2	108.0425	0.000	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CCCH)(NCHH)(COO)(H)	H(NCCH)	109.3339	2.192	8	109.3339	4.804	8	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CCCS)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CCCS)(NCHH)(COO)(H)	H(NCCH)	114.0468	1.479	4	114.0468	2.187	4	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CCHH)(NCHH)(COO)(H)	H(NCCH)	108.8518	0.528	6	108.8518	0.279	6	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CHHO)(NCHH)(COO)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CHHO)(NCHH)(COO)(H)	H(NCCH)	108.2065	2.191	2	108.2065	4.802	2	109.3405	5.650	62	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	C[3]-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[3]C[3]2H)(NCHH)(CCH)(H)	H(NCCH)	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[3]C[3]2H)(NCHH)(CCH)(H)	H(NCCH)	107.2202	2.352	4	107.2202	5.532	4	107.2202	5.532	4	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(NCHH)(CH3)(CCH)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(NCHH)(CH3)(CCH)(H)	H(NCCH)	107.5258	2.752	8	107.5258	7.575	8	108.1062	2.019	38	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(CCCH)(CHHP)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	N(CCCH)(CHHP)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	108.2913	0.109	16	108.2913	0.012	16	108.1062	2.019	38	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(CCCH)2(H)2	C(NCHH)(CH3)(CCH)(H)	H(NCCH)	N(CCCH)2(H)2	C(NCHH)(CH3)(CCH)(H)	H(NCCH)	108.0180	0.884	2	108.0180	0.781	2	108.1062	2.019	38	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	107.1663	1.686	4	107.1663	2.844	4	108.1062	2.019	38	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)(COO)(H)	H(NCCH)	108.8084	0.456	8	108.8084	0.208	8	108.1062	2.019	38	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:	N(C[5]C[5]2H)(CCCH)(H)2	C(NC[5]HH)(CCCH)(COO)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CCCH)(H)2	C(NC[5]HH)(CCCH)(COO)(H)	H(NC[5]CH)	106.6270	0.520	2	106.6270	0.271	2	106.6270	0.271	2	108.7668	4.685	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:3:3:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:C-3:	N-4:	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(CHN)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(CHN)2	H(NCCH)	107.3070	2.294	2	107.3070	5.262	2	107.3070	5.262	2	107.3070	5.262	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	B-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(BHHN)(CCCH)(H)2	C(NBHH)(CH3)2(H)	H(NBCH)	N(BHHN)(CCCH)(H)2	C(NBHH)(CH3)2(H)	H(NBCH)	107.5800	1.245	2	107.5800	1.549	2	107.5800	1.549	2	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	H(NCCH)	109.0589	2.297	14	109.0589	5.278	14	108.8327	3.423	26	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	H(NCCH)	108.6295	0.648	4	108.6295	0.420	4	108.8327	3.423	26	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(CHPP)(H)2	C(CCHH)2(NCHH)(H)	H(NCCH)	N(CCCH)(CHPP)(H)2	C(CCHH)2(NCHH)(H)	H(NCCH)	107.7920	1.321	4	107.7920	1.744	4	108.8327	3.423	26	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(NCCH)	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	H(NCCH)	110.1340	1.252	2	110.1340	1.566	2	108.8327	3.423	26	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	H(NCCH)	108.4360	0.028	2	108.4360	0.001	2	108.8327	3.423	26	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	H(NCCH)	109.0328	1.908	29	109.0328	3.641	29	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(NCCH)	108.8609	3.577	10	108.8609	12.795	10	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	H(NCCH)	109.4999	1.113	12	109.4999	1.238	12	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	H(NCCH)	108.9468	1.597	12	108.9468	2.549	12	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	H(NCCH)	108.1587	0.057	4	108.1587	0.003	4	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	H(NCCH)	108.5400	0.306	6	108.5400	0.094	6	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	H(NCCH)	108.5685	1.283	73	108.5685	1.647	73	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	H(NCCH)	107.7705	0.041	4	107.7705	0.002	4	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	H(NCCH)	107.0865	0.175	2	107.0865	0.031	2	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(CHHO)(NCHH)(CH3)(H)	H(NCCH)	N(CCCH)2(H)2	C(CHHO)(NCHH)(CH3)(H)	H(NCCH)	108.0865	0.032	2	108.0865	0.001	2	108.7190	2.625	154	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	N-4:	N(CCHH)(CCHP)(H)2	C(CCHH)(NCHH)(PO3)(H)	H(NCCH)	N(CCHH)(CCHP)(H)2	C(CCHH)(NCHH)(PO3)(H)	H(NCCH)	108.2815	0.006	2	108.2815	0.000	2	108.2815	0.000	2	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	N-4:	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(NCCH)	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	H(NCCH)	109.5557	5.117	6	109.5557	26.187	6	109.5557	26.187	6	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:	N(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	H(NCCH)	N(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	H(NCCH)	108.5168	4.473	4	108.5168	20.006	4	108.5168	20.006	4	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	N(CCCH)(CCHH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	108.3470	0.949	52	108.3470	0.900	52	108.0264	1.770	336	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)2(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	N(CCCH)2(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	107.9231	1.413	258	107.9231	1.996	258	108.0264	1.770	336	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	N(CC[5a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	109.3170	1.732	2	109.3170	3.001	2	108.0264	1.770	336	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	N(CC[6a]HH)(CCCH)(H)2	C(NCHH)(CH3)2(H)	H(NCCH)	108.3339	0.864	24	108.3339	0.747	24	108.0264	1.770	336	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-4:P-4:H-1:	N-4:	N(CCCH)(CHPP)(H)2	C(NCHH)(PO3)2(H)	H(NCCH)	N(CCCH)(CHPP)(H)2	C(NCHH)(PO3)2(H)	H(NCCH)	108.1783	2.071	4	108.1783	4.289	4	108.7101	2.059	10	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C-4:C-4:H-1:H-1:	N-4:P-4:P-4:H-1:	N-4:	N(CCHH)(CHPP)(H)2	C(NCHH)(PO3)2(H)	H(NCCH)	N(CCHH)(CHPP)(H)2	C(NCHH)(PO3)2(H)	H(NCCH)	109.0647	0.869	6	109.0647	0.756	6	108.7101	2.059	10	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	H(NC[6]CH)	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)(CH3)(H)	H(NC[6]CH)	107.5930	0.000	1	107.5930	0.000	1	107.9960	0.434	9	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)2(H)	H(NC[6]CH)	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CCHH)2(H)	H(NC[6]CH)	108.1580	0.453	2	108.1580	0.205	2	107.9960	0.434	9	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CH3)2(H)	H(NC[6]CH)	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CH3)2(H)	H(NC[6]CH)	108.0305	1.008	4	108.0305	1.017	4	107.9960	0.434	9	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CHHO)2(H)	H(NC[6]CH)	N(C[6]C[6]2H)(CCCH)(H)2	C(NC[6]HH)(CHHO)2(H)	H(NC[6]CH)	107.9665	0.012	2	107.9665	0.000	2	107.9960	0.434	9	108.2904	2.495	549	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-3:	N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	H(NCCH)	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	H(NCCH)	108.6695	1.336	2	108.6695	1.784	2	108.0890	2.948	6	108.0890	2.948	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:3:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-3:	N-4:	N(CC[6]HH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	H(NCCH)	N(CC[6]HH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	H(NCCH)	107.7987	1.995	4	107.7987	3.981	4	108.0890	2.948	6	108.0890	2.948	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	B-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(BC[6a]3)(CC3)(H)2	C(NBHH)(CH3)3	H(NBCH)	N(BC[6a]3)(CC3)(H)2	C(NBHH)(CH3)3	H(NBCH)	105.5250	0.279	3	105.5250	0.078	3	105.5250	0.078	3	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(NCCH)	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	H(NCCH)	107.7920	0.028	2	107.7920	0.001	2	106.8077	5.406	14	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CCHH)(CC3)(H)2	C(CHHN)3(NCHH)	H(NCCH)	N(CCHH)(CC3)(H)2	C(CHHN)3(NCHH)	H(NCCH)	105.5825	2.260	8	105.5825	5.106	8	106.8077	5.406	14	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CCHH)(CC3)(H)2	C(CHHO)3(NCHH)	H(NCCH)	N(CCHH)(CC3)(H)2	C(CHHO)3(NCHH)	H(NCCH)	109.1150	2.181	2	109.1150	4.756	2	106.8077	5.406	14	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CC[5a]HH)(CC3)(H)2	C(CHHN)3(NCHH)	H(NCCH)	N(CC[5a]HH)(CC3)(H)2	C(CHHN)3(NCHH)	H(NCCH)	108.4170	0.021	2	108.4170	0.000	2	106.8077	5.406	14	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	105.8445	1.003	2	105.8445	1.007	2	107.1881	8.618	57	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	H(NCCH)	107.0144	3.213	45	107.0144	10.323	45	107.1881	8.618	57	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	H(NCCH)	107.8670	1.367	4	107.8670	1.868	4	107.1881	8.618	57	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	H(NCCH)	108.7502	1.159	4	108.7502	1.343	4	107.1881	8.618	57	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CC[6a]HH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	H(NCCH)	N(CC[6a]HH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	H(NCCH)	107.9595	0.069	2	107.9595	0.005	2	107.1881	8.618	57	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CC3)2(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CC3)2(H)2	C(NCHH)(CH3)3	H(NCCH)	105.6757	1.819	12	105.6757	3.308	12	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CCCH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CCCH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	107.5228	0.253	4	107.5228	0.064	4	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	107.9443	1.608	34	107.9443	2.587	34	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CC[5a]HH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CC[5a]HH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	107.2318	2.000	4	107.2318	3.999	4	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CC[6a]HH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CC[6a]HH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	107.7066	1.974	12	107.7066	3.898	12	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CCoCH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	N(CCoCH)(CC3)(H)2	C(NCHH)(CH3)3	H(NCCH)	108.5485	0.275	2	108.5485	0.076	2	107.4531	3.379	68	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:P-4:	N-4:	N(CC[6a]CH)(CCCP)(H)2	C(NCHH)(CH3)2(PO3)	H(NCCH)	N(CC[6a]CH)(CCCP)(H)2	C(NCHH)(CH3)2(PO3)	H(NCCH)	108.4100	4.318	2	108.4100	18.642	2	108.4100	18.642	2	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	C(NC[6]HH)(CH3)3	H(NC[6]CH)	N(C[6]B[5x3,5x5,21x6]C[6]H)(CC3)(H)2	C(NC[6]HH)(CH3)3	H(NC[6]CH)	107.7285	0.011	2	107.7285	0.000	2	107.7285	0.000	2	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	4:4:4:4:	4:	Ga-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(GaHHN)(CC3)(H)2	C(NGaHH)(CH3)3	H(NGaCH)	N(GaHHN)(CC3)(H)2	C(NGaHH)(CH3)3	H(NGaCH)	108.8247	1.065	4	108.8247	1.134	4	108.8247	1.134	4	107.3066	5.562	150	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:1:1:	6:4:1:1:	4:	C-4:C[6]-4:H-1:H-1:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	N-4:	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	H(NC[6]CH)	N(CC[5x3,5x5,20x6]HH)(C[6]C[6,6]C[6]H)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]HH)(H)2	H(NC[6]CH)	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(CH3)(OGa)(H)	C(NCHO)(H)3	H(NCCO)	N(CCHH)(CH3)(OGa)(H)	C(NCHO)(H)3	H(NCCO)	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:4:1:1:	4:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	H(NBCO)	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	H(NBCO)	109.1890	0.000	1	109.1890	0.000	1	110.5233	11.092	3	108.9546	4.992	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:4:1:1:	4:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	H(NBCO)	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	H(NBCO)	111.1905	4.417	2	111.1905	19.513	2	110.5233	11.092	3	108.9546	4.992	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:B-4:O-2:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(NBCO)	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	H(NBCO)	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	108.9546	4.992	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	H(NCCO)	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	H(NCCO)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.9546	4.992	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:2:1:	4:4:1:1:	4:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	H(NCCO)	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	H(NCCO)	108.1573	0.455	3	108.1573	0.207	3	108.1573	0.207	3	108.9546	4.992	8	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)2(NHH)(H)	C(NCHN)(H)3	H(NCCN)	N(CH3)2(NHH)(H)	C(NCHN)(H)3	H(NCCN)	108.2091	1.726	10	108.2091	2.978	10	108.4036	2.683	12	108.4036	2.683	12	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:3:1:	4:1:1:1:	4:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)2(NHP)(H)	C(NCHN)(H)3	H(NCCN)	N(CH3)2(NHP)(H)	C(NCHN)(H)3	H(NCCN)	109.3760	0.662	2	109.3760	0.438	2	108.4036	2.683	12	108.4036	2.683	12	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	H(NC3)	108.9495	4.878	2	108.9495	23.798	2	108.0855	8.616	6	108.0855	8.616	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:3:1:	4:4:1:1:	4:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	H(NC3)	107.6535	2.383	4	107.6535	5.681	4	108.0855	8.616	6	108.0855	8.616	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	H(NC3)	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	H(NC3)	110.4375	1.350	2	110.4375	1.822	2	111.3127	3.209	3	111.3127	3.209	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	H(NC3)	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	H(NC3)	113.0630	0.000	1	113.0630	0.000	1	111.3127	3.209	3	111.3127	3.209	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	H(NBCC)	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	H(NBCC)	106.4340	0.093	2	106.4340	0.009	2	106.2403	0.985	4	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	H(NBCC)	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	H(NBCC)	106.0465	1.672	2	106.0465	2.797	2	106.2403	0.985	4	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	H(NC3)	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	H(NC3)	108.5865	0.005	2	108.5865	0.000	2	108.5865	0.000	2	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	H(NC3)	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	H(NC3)	107.5480	0.000	1	107.5480	0.000	1	106.7173	18.194	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(NC3)	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(NC3)	106.9635	1.142	2	106.9635	1.304	2	106.7173	18.194	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	H(NC3)	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	H(NC3)	101.5300	0.000	1	101.5300	0.000	1	106.7173	18.194	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	H(NC3)	N(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	H(NC3)	106.1850	0.000	1	106.1850	0.000	1	106.7173	18.194	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(NC3)	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	H(NC3)	107.8165	6.094	4	107.8165	37.138	4	106.7173	18.194	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	107.2635	0.176	2	107.2635	0.031	2	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	108.2820	0.298	2	108.2820	0.089	2	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	H(NC3)	107.6117	0.954	3	107.6117	0.909	3	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	108.5350	0.000	1	108.5350	0.000	1	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(C[6]S[6]2)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(C[6]S[6]2)(NCCH)(H)2	H(NC3)	105.1050	0.000	1	105.1050	0.000	1	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	109.1540	3.530	2	109.1540	12.460	2	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCCH)(H)2	H(NC3)	109.7860	0.000	1	109.7860	0.000	1	107.9717	2.782	12	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.9640	0.000	1	106.9640	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	H(NC3)	106.0050	0.000	1	106.0050	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	104.0210	0.000	1	104.0210	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	107.1555	0.114	2	107.1555	0.013	2	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	H(NC3)	103.1875	1.999	2	103.1875	3.996	2	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	110.5280	0.000	1	110.5280	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	106.2500	1.278	3	106.2500	1.634	3	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.7570	3.608	25	106.7570	13.020	25	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	107.3895	0.529	4	107.3895	0.280	4	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.9940	0.000	1	106.9940	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	H(NC3)	109.0847	1.674	3	109.0847	2.802	3	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	107.7766	0.234	7	107.7766	0.055	7	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	H(NC3)	108.2110	1.479	2	108.2110	2.188	2	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	108.4226	4.633	19	108.4226	21.462	19	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	103.7210	0.000	1	103.7210	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CHHP)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CHHP)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	110.6160	0.000	1	110.6160	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.7620	0.862	5	106.7620	0.742	5	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	109.7993	2.433	3	109.7993	5.918	3	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.7709	2.343	43	106.7709	5.490	43	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	108.4655	1.363	2	108.4655	1.857	2	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.8660	1.564	2	106.8660	2.446	2	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	H(NC3)	112.4800	0.000	1	112.4800	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.4570	0.000	1	106.4570	0.000	1	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	106.6842	3.037	6	106.6842	9.223	6	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	H(NC3)	107.4461	2.457	45	107.4461	6.035	45	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	H(NC3)	107.4586	2.484	5	107.4586	6.171	5	107.2799	8.040	187	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(NC[5]CC)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(NC[5]CC)	110.0845	1.561	2	110.0845	2.435	2	108.2297	3.098	6	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(NC[5]CC)	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	H(NC[5]CC)	107.3023	0.954	4	107.3023	0.911	4	108.2297	3.098	6	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	109.2510	0.000	1	109.2510	0.000	1	107.4186	7.795	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	102.6610	0.000	1	102.6610	0.000	1	107.4186	7.795	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(NC[6]CC)	108.3910	0.000	1	108.3910	0.000	1	107.4186	7.795	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	H(NC[6]CC)	106.9185	2.407	4	106.9185	5.793	4	107.4186	7.795	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	H(NC[6]CC)	109.3950	3.038	2	109.3950	9.228	2	107.4186	7.795	9	107.3176	7.780	229	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(NC3)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(NC3)	102.5880	0.000	1	102.5880	0.000	1	104.7855	9.658	2	97.8016	31.253	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(NC3)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	H(NC3)	106.9830	0.000	1	106.9830	0.000	1	104.7855	9.658	2	97.8016	31.253	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	3:4:4:1:	4:	C-4:C-4:P-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	H(NCCP)	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	H(NCCP)	94.3097	0.307	4	94.3097	0.094	4	94.3097	0.094	4	97.8016	31.253	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	106.0090	0.000	1	106.0090	0.000	1	106.1025	0.791	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)2(CH3)(H)	C(NBBH)(H)3	H(NBBC)	N(BH3)2(CH3)(H)	C(NBBH)(H)3	H(NBBC)	106.3970	1.766	2	106.3970	3.120	2	106.1025	0.791	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	105.9923	0.913	3	105.9923	0.834	3	106.1025	0.791	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	H(NBBC)	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	H(NBBC)	105.5120	0.000	1	105.5120	0.000	1	106.1025	0.791	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BIrHH)(BHHN)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	N(BIrHH)(BHHN)(CH3)(H)	C(NBBH)(H)3	H(NBBC)	106.5280	0.000	1	106.5280	0.000	1	106.1025	0.791	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	106.5550	1.599	2	106.5550	2.558	2	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	107.1270	2.475	2	107.1270	6.125	2	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BH3)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BH3)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	107.2155	1.118	2	107.2155	1.250	2	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	107.1080	0.052	2	107.1080	0.003	2	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	107.1985	1.066	4	107.1985	1.136	4	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	106.6212	1.451	10	106.6212	2.106	10	106.8644	1.620	22	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B[5a]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	H(NB[5a]CC)	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	H(NB[5a]CC)	106.5830	0.785	2	106.5830	0.616	2	106.5830	0.616	2	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	H(NB[6,6]CC)	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	H(NB[6,6]CC)	106.6602	2.493	4	106.6602	6.213	4	106.2064	8.442	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	H(NB[6,6]CC)	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	H(NB[6,6]CC)	105.7525	3.596	4	105.7525	12.935	4	106.2064	8.442	8	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	B[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	H(NB[6]CC)	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	H(NB[6]CC)	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CBHH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CBHH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	109.3060	1.010	2	109.3060	1.020	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC3)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC3)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.2160	0.013	2	107.2160	0.000	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCCH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CCCH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	103.3610	0.000	1	103.3610	0.000	1	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCCH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CCCH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	106.0813	2.121	114	106.0813	4.500	114	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CCHH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.4787	2.144	520	107.4787	4.596	520	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(H)3	H(NC3)	107.3795	1.073	2	107.3795	1.151	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CCHH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	107.6961	1.991	39	107.6961	3.962	39	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[4]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[4]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	106.6515	0.648	4	106.6515	0.419	4	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5]CH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[5]CH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.0310	2.725	9	107.0310	7.425	9	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[5]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.1622	3.161	21	107.1622	9.993	21	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[5]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	105.8490	0.000	1	105.8490	0.000	1	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5a]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[5a]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.9006	1.371	8	107.9006	1.879	8	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[5a]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[5a]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	105.1500	3.229	2	105.1500	10.424	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	107.0423	0.728	6	107.0423	0.531	6	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	106.9222	1.337	18	106.9222	1.787	18	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[6]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	101.0920	0.000	1	101.0920	0.000	1	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]2H)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[6a]2H)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	106.2555	0.262	2	106.2555	0.069	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(NCCH)(H)3	H(NC3)	106.9670	4.298	4	106.9670	18.469	4	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CC[6a]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.1919	3.097	64	107.1919	9.590	64	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CC[6a]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CC[6a]HH)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	104.2120	0.000	1	104.2120	0.000	1	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CH3)3(H)	C(NCCH)(H)3	H(NC3)	N(CH3)3(H)	C(NCCH)(H)3	H(NC3)	107.3530	2.287	154	107.3530	5.231	154	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CHHN)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CHHN)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	106.3285	0.852	2	106.3285	0.726	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CHHP)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CHHP)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.0205	0.940	2	107.0205	0.883	2	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CHHP)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	N(CHHP)2(CH3)(H)	C(NCCH)(H)3	H(NC3)	106.1783	1.605	3	106.1783	2.575	3	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(CSi[5]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	N(CSi[5]HH)(CH3)2(H)	C(NCCH)(H)3	H(NC3)	107.7357	2.058	4	107.7357	4.234	4	107.2358	5.211	986	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[4x6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C(NC[4x6]CH)(H)3	H(NC[4x6]CC)	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C(NC[4x6]CH)(H)3	H(NC[4x6]CC)	102.8565	0.853	4	102.8565	0.728	4	102.8565	0.728	4	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(NC[5]CH)(H)3	H(NC[5]CC)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(NC[5]CH)(H)3	H(NC[5]CC)	105.0735	0.052	2	105.0735	0.003	2	105.9210	2.156	3	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[5]C[5]2H)(CH3)2(H)	C(NC[5]CH)(H)3	H(NC[5]CC)	N(C[5]C[5]2H)(CH3)2(H)	C(NC[5]CH)(H)3	H(NC[5]CC)	107.6160	0.000	1	107.6160	0.000	1	105.9210	2.156	3	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6,6]C[3x6]2H)(CH3)2(H)	C(NC[6,6]CH)(H)3	H(NC[6,6]CC)	N(C[6,6]C[3x6]2H)(CH3)2(H)	C(NC[6,6]CH)(H)3	H(NC[6,6]CC)	109.3490	8.132	2	109.3490	66.125	2	109.3490	66.125	2	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	97.4798	3.370	2	97.4798	11.357	2	105.7472	9.585	28	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	106.1780	2.208	10	106.1780	4.874	10	105.7472	9.585	28	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	109.4550	1.199	2	109.4550	1.438	2	105.7472	9.585	28	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	N(C[6]C[6]2H)(CH3)2(H)	C(NC[6]CH)(H)3	H(NC[6]CC)	106.0909	1.627	14	106.0909	2.648	14	105.7472	9.585	28	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	Ga-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	H(NGaCC)	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	H(NGaCC)	107.2590	0.243	4	107.2590	0.059	4	107.2590	0.059	4	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	N-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	H(NCCN)	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	H(NCCN)	107.5652	1.359	4	107.5652	1.847	4	107.5652	1.847	4	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:1:1:1:	4:	Si-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	H(NSiCC)	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	H(NSiCC)	106.2595	0.084	2	106.2595	0.007	2	106.2595	0.007	2	107.1546	5.351	1074	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(NCCH)(CN)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(NCCH)(CN)(H)2	H(NC3)	107.7865	1.532	2	107.7865	2.348	2	106.5930	1.956	6	106.5930	1.956	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CC)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CC)(H)2	H(NC3)	106.0040	0.000	1	106.0040	0.000	1	106.5930	1.956	6	106.5930	1.956	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CN)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CN)(H)2	H(NC3)	107.4070	0.000	1	107.4070	0.000	1	106.5930	1.956	6	106.5930	1.956	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:2:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CC)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CC)(H)2	H(NC3)	105.2870	0.400	2	105.2870	0.160	2	106.5930	1.956	6	106.5930	1.956	6	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCCH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCCH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	107.1290	0.267	2	107.1290	0.071	2	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(NCCH)(COO)(H)2	H(NC3)	108.7273	1.991	16	108.7273	3.962	16	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(COO)(H)2	H(NC3)	110.4660	0.000	1	110.4660	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(NCCH)(COO)(H)2	H(NC3)	101.3700	0.000	1	101.3700	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(CC3)(H)	C(NCCH)(CCC)(H)2	H(NC3)	N(CCHH)2(CC3)(H)	C(NCCH)(CCC)(H)2	H(NC3)	103.0500	0.000	1	103.0500	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(CC3)(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)2(CC3)(H)	C(NCCH)(COO)(H)2	H(NC3)	107.7910	0.000	1	107.7910	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(NCCH)(CCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(NCCH)(CCH)(H)2	H(NC3)	104.0830	1.789	2	104.0830	3.200	2	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	H(NC3)	106.9550	0.335	4	106.9550	0.112	4	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CCH)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CCH)(H)2	H(NC3)	106.0488	2.820	5	106.0488	7.950	5	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CNO)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CNO)(H)2	H(NC3)	106.5388	1.805	5	106.5388	3.259	5	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(COO)(H)2	H(NC3)	106.8459	1.680	37	106.8459	2.823	37	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CC[6]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	109.0310	0.000	1	109.0310	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CHH)(H)2	H(NC3)	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CHH)(H)2	H(NC3)	108.4840	0.000	1	108.4840	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(NCCH)(CCH)(H)2	H(NC3)	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(NCCH)(CCH)(H)2	H(NC3)	105.9210	0.000	1	105.9210	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(COO)(H)2	H(NC3)	108.4340	0.000	1	108.4340	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CCH)(H)2	H(NC3)	108.3470	0.000	1	108.3470	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CHO)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CHO)(H)2	H(NC3)	105.7340	6.896	2	105.7340	47.551	2	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	H(NC3)	106.5198	1.793	4	106.5198	3.214	4	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(NCCH)(COO)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(NCCH)(COO)(H)2	H(NC3)	107.4020	0.000	1	107.4020	0.000	1	107.0570	4.805	87	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:N-3:H-1:H-1:	N-4:	N(CCHH)2(CHHN)(H)	C(NCCH)(NCH)(H)2	H(NC3)	N(CCHH)2(CHHN)(H)	C(NCCH)(NCH)(H)2	H(NC3)	106.9080	0.048	2	106.9080	0.002	2	107.9533	3.279	3	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:N-3:H-1:H-1:	N-4:	N(CHHN)(CH3)2(H)	C(NCCH)(NCC)(H)2	H(NC3)	N(CHHN)(CH3)2(H)	C(NCCH)(NCC)(H)2	H(NC3)	110.0440	0.000	1	110.0440	0.000	1	107.9533	3.279	3	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-3:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(NCCH)(PCC)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(NCCH)(PCC)(H)2	H(NC3)	108.0110	1.909	2	108.0110	3.645	2	103.9352	4.663	12	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-3:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(NCCH)(PCC)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(NCCH)(PCC)(H)2	H(NC3)	103.1200	0.929	10	103.1200	0.864	10	103.9352	4.663	12	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[6]C[6]2C)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	H(NC[6]CC)	N(C[6]C[6]2C)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	H(NC[6]CC)	103.8115	1.774	2	103.8115	3.148	2	105.2798	3.924	4	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	H(NC[6]CC)	106.7480	0.017	2	106.7480	0.000	2	105.2798	3.924	4	106.6619	5.698	106	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:2:2:	4:	C-4:C-4:C-4:H-1:	N-4:C-3:C-2:C-2:	N-4:	N(CC3)(CH3)2(H)	C(NCCH)(CCH)(CC)2	H(NC3)	N(CC3)(CH3)2(H)	C(NCCH)(CCH)(CC)2	H(NC3)	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:3:4:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:C[6a]-3:N-4:H-1:	N-4:	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	H(NC3)	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	H(NC3)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:B-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	H(NBCC)	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	H(NBCC)	103.3740	0.000	1	103.3740	0.000	1	103.3740	0.000	1	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	B-4:N-4:H-1:H-1:	N-4:	N(CBHH)(CH3)2(H)	C(BC[6a]2C)(NCCH)(H)2	H(NC3)	N(CBHH)(CH3)2(H)	C(BC[6a]2C)(NCCH)(H)2	H(NC3)	102.3790	0.000	1	102.3790	0.000	1	102.3790	0.000	1	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	105.0930	0.000	1	105.0930	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.5880	0.880	2	107.5880	0.774	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	105.2343	0.950	3	105.2343	0.903	3	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(CClHH)(NCCH)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(CClHH)(NCCH)(H)2	H(NC3)	104.7000	0.000	1	104.7000	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	109.4287	5.091	7	109.4287	25.923	7	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	106.1320	0.000	1	106.1320	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(CHHS)(NCCH)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(CHHS)(NCCH)(H)2	H(NC3)	106.0350	0.168	2	106.0350	0.028	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	H(NC3)	108.6825	1.206	18	108.6825	1.454	18	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	107.4914	1.759	62	107.4914	3.095	62	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	H(NC3)	106.5377	2.929	3	106.5377	8.577	3	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CCHO)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CCHO)(NCCH)(H)2	H(NC3)	107.4620	0.255	2	107.4620	0.065	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CC[5]CO)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CC[5]CO)(NCCH)(H)2	H(NC3)	109.4040	0.311	2	109.4040	0.097	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	106.4471	2.233	9	106.4471	4.984	9	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	H(NC3)	108.3944	2.459	7	108.3944	6.048	7	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	107.1180	0.000	1	107.1180	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CFHH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CFHH)(NCCH)(H)2	H(NC3)	106.9230	0.990	2	106.9230	0.980	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.7615	1.652	101	107.7615	2.731	101	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	108.4128	1.539	29	108.4128	2.368	29	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CN[5a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CN[5a]HH)(NCCH)(H)2	H(NC3)	108.1840	0.000	1	108.1840	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CN[6]HH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CN[6]HH)(NCCH)(H)2	H(NC3)	105.1680	0.000	1	105.1680	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(CN[6a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(CN[6a]HH)(NCCH)(H)2	H(NC3)	111.0120	0.000	1	111.0120	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	106.5750	0.000	1	106.5750	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	104.7763	1.126	3	104.7763	1.268	3	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	99.2037	0.000	1	99.2037	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	104.1340	2.951	2	104.1340	8.711	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	H(NC3)	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	H(NC3)	102.8250	0.000	1	102.8250	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CC3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)2(CC3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	108.1900	0.000	1	108.1900	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	106.6300	0.069	2	106.6300	0.005	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	H(NC3)	107.6190	2.956	2	107.6190	8.736	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	107.6551	2.099	23	107.6551	4.405	23	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	H(NC3)	106.6040	3.709	2	106.6040	13.760	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	108.0875	3.188	2	108.0875	10.166	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	H(NC3)	106.5950	1.324	2	106.5950	1.752	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.2826	3.437	42	107.2826	11.814	42	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	106.9137	0.059	4	106.9137	0.004	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	105.7000	2.572	5	105.7000	6.615	5	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	103.7374	2.950	28	103.7374	8.702	28	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(CHHO)(NCCH)(H)2	H(NC3)	106.3992	0.259	4	106.3992	0.067	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(CHHS)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(CHHS)(NCCH)(H)2	H(NC3)	108.2250	0.000	1	108.2250	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CCCO)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CCCO)(NCCH)(H)2	H(NC3)	106.0370	0.000	1	106.0370	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	H(NC3)	106.3999	2.162	86	106.3999	4.673	86	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	H(NC3)	105.1962	2.123	4	105.1962	4.506	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	104.5360	0.000	1	104.5360	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.6010	2.988	202	107.6010	8.929	202	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	H(NC3)	106.2349	3.385	187	106.2349	11.455	187	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	H(NC3)	106.5609	2.277	10	106.5609	5.186	10	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CN[5]HH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CN[5]HH)(NCCH)(H)2	H(NC3)	107.0160	0.000	1	107.0160	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CN[5a]HH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CN[5a]HH)(NCCH)(H)2	H(NC3)	108.2020	0.000	1	108.2020	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	H(NC3)	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	H(NC3)	107.4860	0.000	1	107.4860	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[4]HH)(CCHH)(CH3)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CC[4]HH)(CCHH)(CH3)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	106.6530	0.647	4	106.6530	0.419	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6]HH)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6]HH)(NCCH)(H)2	H(NC3)	107.4535	0.887	2	107.4535	0.788	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6a]HH)(NCCH)(H)2	H(NC3)	105.9100	0.000	1	105.9100	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.2205	0.141	2	107.2205	0.020	2	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	105.9400	2.272	5	105.9400	5.161	5	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	108.2740	0.171	4	108.2740	0.029	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]2H)(CCHH)2(H)	C(CCHO)(NCCH)(H)2	H(NC3)	N(CC[6a]2H)(CCHH)2(H)	C(CCHO)(NCCH)(H)2	H(NC3)	106.6610	0.000	1	106.6610	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	110.2690	0.000	1	110.2690	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	109.3257	4.094	4	109.3257	16.763	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	H(NC3)	106.8773	0.352	3	106.8773	0.124	3	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(CCuCH)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(CCuCH)(NCCH)(H)2	H(NC3)	108.5070	0.000	1	108.5070	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	H(NC3)	106.7752	1.096	12	106.7752	1.201	12	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	H(NC3)	107.2127	3.353	22	107.2127	11.241	22	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(CHHS)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(CHHS)(NCCH)(H)2	H(NC3)	108.0000	1.800	4	108.0000	3.242	4	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	106.0170	0.000	1	106.0170	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	H(NC3)	107.6973	1.445	9	107.6973	2.088	9	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(CC[6a]CH)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(CC[6a]CH)(NCCH)(H)2	H(NC3)	106.5530	0.000	1	106.5530	0.000	1	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	H(NC3)	107.2148	2.813	12	107.2148	7.912	12	107.0423	7.824	965	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[3]-4:N-4:H-1:H-1:	N-4:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	H(NC3)	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	H(NC3)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[4]-4:N-4:H-1:H-1:	N-4:	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	H(NC3)	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	H(NC3)	106.6380	0.636	4	106.6380	0.405	4	106.6380	0.405	4	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCCH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	N(CC[5]HH)(CCCH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	104.1600	0.000	1	104.1600	0.000	1	107.6338	3.307	13	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	N(CC[5]HH)(CCHH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	106.8790	0.000	1	106.8790	0.000	1	107.6338	3.307	13	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	H(NC3)	108.1060	1.764	9	108.1060	3.112	9	107.6338	3.307	13	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	H(NC3)	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	H(NC3)	107.6230	0.385	2	107.6230	0.148	2	107.6338	3.307	13	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	H(NC3)	110.7890	0.000	1	110.7890	0.000	1	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	H(NC3)	107.4105	0.865	2	107.4105	0.748	2	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(NC3)	107.1990	0.000	1	107.1990	0.000	1	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	H(NC3)	107.1630	0.000	1	107.1630	0.000	1	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(NCCH)(H)2	H(NC3)	109.2968	3.853	5	109.2968	14.844	5	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(NC3)	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	H(NC3)	108.1830	0.000	1	108.1830	0.000	1	108.6035	7.437	11	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	Ga-4:N-4:H-1:H-1:	N-4:	N(CGaHH)(CCCH)2(H)	C(GaClCC)(NCCH)(H)2	H(NC3)	N(CGaHH)(CCCH)2(H)	C(GaClCC)(NCCH)(H)2	H(NC3)	102.9420	0.000	1	102.9420	0.000	1	102.9420	0.000	1	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCCH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCCH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	108.4550	0.539	2	108.4550	0.290	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)(H)2	H(NC3)	106.7394	1.998	7	106.7394	3.992	7	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(NCCH)(CC3)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(NCCH)(CC3)(H)2	H(NC3)	107.1515	0.207	2	107.1515	0.043	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)(CH3)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)(CH3)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	107.1635	0.206	2	107.1635	0.042	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	H(NC3)	108.1380	3.329	2	108.1380	11.083	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(NCCH)(CH3)(H)2	H(NC3)	106.4376	0.681	8	106.4376	0.464	8	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CF3)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CF3)(H)2	H(NC3)	106.9285	0.046	2	106.9285	0.002	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	H(NC3)	106.5128	2.727	845	106.5128	7.438	845	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[5]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CC[5]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	106.9210	0.000	1	106.9210	0.000	1	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(CH3)(H)2	H(NC3)	107.2070	0.000	1	107.2070	0.000	1	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	103.3130	1.782	2	103.3130	3.175	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]C[6]H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CC[6a]C[6]H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	105.9775	0.961	2	105.9775	0.923	2	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CC3)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CC3)(H)2	H(NC3)	109.9900	0.000	1	109.9900	0.000	1	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	H(NC3)	106.7114	1.862	14	106.7114	3.466	14	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CCHH)(H)	C(NCCH)(CC3)(H)2	H(NC3)	N(CC[6a]HH)2(CCHH)(H)	C(NCCH)(CC3)(H)2	H(NC3)	111.9670	0.000	1	111.9670	0.000	1	106.5317	7.233	892	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCCH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CCCH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	H(NC3)	104.7485	4.867	2	104.7485	23.688	2	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCCH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CCCH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	111.3010	0.000	1	111.3010	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	105.7380	0.000	1	105.7380	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PO3)(H)2	H(NC3)	106.5770	0.000	1	106.5770	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	H(NC3)	108.1347	1.808	4	108.1347	3.270	4	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	106.4060	0.000	1	106.4060	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(NCCH)(PO3)(H)2	H(NC3)	107.1890	0.976	6	107.1890	0.952	6	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	103.0490	0.000	1	103.0490	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CC[6a]HH)(CHHP)2(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CC[6a]HH)(CHHP)2(H)	C(NCCH)(PHOO)(H)2	H(NC3)	105.1300	2.577	2	105.1300	6.639	2	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CHHP)(H)	C(NCCH)(PCOO)(H)2	H(NC3)	N(CC[6a]HH)2(CHHP)(H)	C(NCCH)(PCOO)(H)2	H(NC3)	108.9250	0.000	1	108.9250	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CC[6a]HH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	104.7390	0.000	1	104.7390	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)(CH3)2(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CHHP)(CH3)2(H)	C(NCCH)(PHOO)(H)2	H(NC3)	109.9580	0.000	1	109.9580	0.000	1	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	H(NC3)	106.9590	5.933	2	106.9590	35.196	2	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	H(NC3)	105.9375	3.020	2	105.9375	9.121	2	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CHHP)3(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CHHP)3(H)	C(NCCH)(PO3)(H)2	H(NC3)	106.1235	4.786	9	106.1235	22.901	9	106.6579	10.406	35	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	H(NC3)	109.9548	1.672	4	109.9548	2.796	4	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	H(NC3)	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	H(NC3)	107.2572	2.102	4	107.2572	4.419	4	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(PC[6a]NiC)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(PC[6a]NiC)(NCCH)(H)2	H(NC3)	106.3782	0.737	4	106.3782	0.543	4	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	H(NC3)	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	H(NC3)	106.3570	0.312	4	106.3570	0.098	4	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	H(NC3)	N(CC[6a]HH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	H(NC3)	108.0610	0.000	1	108.0610	0.000	1	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	H(NC3)	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	H(NC3)	109.2810	1.105	3	109.2810	1.222	3	107.7847	3.622	20	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C(NC[6]CH)(CH3)(H)2	H(NC[6]CC)	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C(NC[6]CH)(CH3)(H)2	H(NC[6]CC)	105.5025	0.057	2	105.5025	0.003	2	105.9850	1.545	5	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHN)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHN)(H)2	H(NC[6]CC)	104.7500	0.000	1	104.7500	0.000	1	105.9850	1.545	5	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHO)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHO)(H)2	H(NC[6]CC)	108.0250	0.000	1	108.0250	0.000	1	105.9850	1.545	5	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(NC[6]CH)(CCHH)(H)2	H(NC[6]CC)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(NC[6]CH)(CCHH)(H)2	H(NC[6]CC)	106.1450	0.000	1	106.1450	0.000	1	105.9850	1.545	5	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(C[6]C[6]2H)2(CHHP)(H)	C(NC[6]2H)(PHOO)(H)2	H(NC[6]2C)	N(C[6]C[6]2H)2(CHHP)(H)	C(NC[6]2H)(PHOO)(H)2	H(NC[6]2C)	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:1:1:	4:	In-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(InCl2N)(CCHH)2(H)	C(NInCH)(CH3)(H)2	H(NInCC)	N(InCl2N)(CCHH)2(H)	C(NInCH)(CH3)(H)2	H(NInCC)	106.2230	2.511	4	106.2230	6.304	4	106.2230	6.304	4	106.8130	7.579	1954	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CCCH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(CClO)(H)	H(NC3)	N(CCCH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(CClO)(H)	H(NC3)	102.4510	0.000	1	102.4510	0.000	1	105.7438	5.059	4	105.7438	5.059	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:3:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	N-4:	N(CC[6a]HH)2(CCCH)(H)	C(CCHH)(NCCH)(CCH)(H)	H(NC3)	N(CC[6a]HH)2(CCCH)(H)	C(CCHH)(NCCH)(CCH)(H)	H(NC3)	106.8413	0.600	3	106.8413	0.361	3	105.7438	5.059	4	105.7438	5.059	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	104.0625	0.037	2	104.0625	0.001	2	104.5857	0.253	10	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	104.6875	0.878	2	104.6875	0.770	2	104.5857	0.253	10	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	H(NBCC)	104.7262	0.405	6	104.7262	0.164	6	104.5857	0.253	10	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(NC3)	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	H(NC3)	106.6017	1.597	6	106.6017	2.552	6	105.2117	5.778	11	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CCCH)3(H)	C(CHHO)2(NCCH)(H)	H(NC3)	N(CCCH)3(H)	C(CHHO)2(NCCH)(H)	H(NC3)	102.3420	0.902	3	102.3420	0.814	3	105.2117	5.778	11	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)2(NCCH)(H)	H(NC3)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)2(NCCH)(H)	H(NC3)	107.2250	0.000	1	107.2250	0.000	1	105.2117	5.778	11	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	H(NC3)	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	H(NC3)	103.4680	0.000	1	103.4680	0.000	1	105.2117	5.778	11	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	H(NC3)	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	H(NC3)	108.6280	0.000	1	108.6280	0.000	1	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	H(NC3)	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	H(NC3)	106.4300	0.653	2	106.4300	0.427	2	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	H(NC3)	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	H(NC3)	104.5280	0.000	1	104.5280	0.000	1	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	H(NC3)	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	H(NC3)	106.8181	2.284	40	106.8181	5.215	40	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	H(NC3)	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	H(NC3)	106.2665	0.637	11	106.2665	0.406	11	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	H(NC3)	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	H(NC3)	105.9520	0.000	1	105.9520	0.000	1	106.6719	3.992	56	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:P-4:H-1:	N-4:	N(CC[6a]HH)2(CCHP)(H)	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(NC3)	N(CC[6a]HH)2(CCHP)(H)	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(NC3)	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:N-4:H-1:	N-4:	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	H(NC3)	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	H(NC3)	104.1920	3.158	3	104.1920	9.970	3	104.1920	9.970	3	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	H(NC3)	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	H(NC3)	105.4380	0.235	2	105.4380	0.055	2	105.4380	0.055	2	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)(CHHP)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CCCH)(CHHP)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	107.9390	0.000	1	107.9390	0.000	1	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)2(H)	H(NC3)	105.2758	2.882	42	105.2758	8.308	42	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CCCH)2(CHHP)(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CCCH)2(CHHP)(H)	C(NCCH)(CH3)2(H)	H(NC3)	104.2255	0.561	2	104.2255	0.314	2	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CC[5]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CC[5]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	105.1505	2.032	2	105.1505	4.127	2	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CC[6a]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CC[6a]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	105.1770	0.000	1	105.1770	0.000	1	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(CGaHH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	N(CGaHH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	H(NC3)	104.6895	2.590	2	104.6895	6.709	2	105.2566	7.383	50	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:1:	4:	C[4]-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C(NC[4]CH)(CH3)2(H)	H(NC[4]CC)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C(NC[4]CH)(CH3)2(H)	H(NC[4]CC)	106.2325	0.013	2	106.2325	0.000	2	106.2325	0.000	2	105.7983	5.580	135	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	H(NBBC)	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	H(NBBC)	102.4460	0.000	1	102.4460	0.000	1	101.5460	1.620	2	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	H(NBBC)	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	H(NBBC)	100.6460	0.000	1	100.6460	0.000	1	101.5460	1.620	2	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CCHH)(BH3)(CC3)(H)	C(NBCH)(CH3)3	H(NBCC)	N(CCHH)(BH3)(CC3)(H)	C(NBCH)(CH3)3	H(NBCC)	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:N-4:	N-4:	N(CCHH)2(CC3)(H)	C(CHHO)3(NCCH)	H(NC3)	N(CCHH)2(CC3)(H)	C(CHHO)3(NCCH)	H(NC3)	104.3750	0.000	1	104.3750	0.000	1	104.3750	0.000	1	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:C-4:	N-4:	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	H(NC3)	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	H(NC3)	105.3360	0.000	1	105.3360	0.000	1	105.3360	0.000	1	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CCHH)2(CC3)(H)	C(NCCH)(CH3)3	H(NC3)	N(CCHH)2(CC3)(H)	C(NCCH)(CH3)3	H(NC3)	109.4040	0.000	1	109.4040	0.000	1	107.2925	8.917	2	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	4:4:4:4:	4:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(CHHP)2(CC3)(H)	C(NCCH)(CH3)3	H(NC3)	N(CHHP)2(CC3)(H)	C(NCCH)(CH3)3	H(NC3)	105.1810	0.000	1	105.1810	0.000	1	107.2925	8.917	2	104.6527	7.433	7	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:4:1:	5:4:1:1:	4:	C-4:C-4:C-4:H-1:	Si[5]-5:N-4:H-1:H-1:	N-4:	N(CSi[5]HH)(CH3)2(H)	C(Si[5]O[5]2CF)(NCCH)(H)2	H(NC3)	N(CSi[5]HH)(CH3)2(H)	C(Si[5]O[5]2CF)(NCCH)(H)2	H(NC3)	107.4650	1.138	2	107.4650	1.296	2	107.4650	1.296	2	107.4650	1.296	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:4:5:1:	3:4:1:1:	4:	C-4:C-4:B-5:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)2(BCaH3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	H(NBCC)	N(CC[6a]HH)2(BCaH3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	H(NBCC)	107.3640	0.008	2	107.3640	0.000	2	107.3640	0.000	2	107.3640	0.000	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	4:6:1:1:	3:4:1:1:	4:	C-4:In-6:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:	N(CC[6a]HH)(InNNO3)(H)2	C(C[6a]C[6a]2)(NInHH)(H)2	H(NInCH)	N(CC[6a]HH)(InNNO3)(H)2	C(C[6a]C[6a]2)(NInHH)(H)2	H(NInCH)	106.9915	0.452	4	106.9915	0.205	4	106.9915	0.205	4	106.9915	0.205	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:1:1:	4:3:1:1:	4:	B[3,3,5,3x6]-5:C-4:H-1:H-1:	N-4:C[6a]-3:H-1:H-1:	N-4:	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	H(NB[3,3,5,3x6]CH)	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CC[6a]HH)(H)2	C(NB[3,3,5,3x6]HH)(C[6a]C[6a]2)(H)2	H(NB[3,3,5,3x6]CH)	108.6960	0.023	2	108.6960	0.001	2	108.6960	0.001	2	108.6960	0.001	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:1:1:	4:4:4:4:	4:	C[3x3,3x5,12x6]-5:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(NC[3x3,3x5,12x6]CH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,4x5,13x6])(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(NC[3x3,3x5,12x6]CH)	105.0920	2.079	2	105.0920	4.322	2	105.0920	4.322	2	105.0920	4.322	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:3:1:	4:4:1:1:	4:	C-5:C-4:C-3:H-1:	N-4:P-4:H-1:H-1:	N-4:	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)2	H(NC3)	N(CH3P)(CHHP)(CHP)(H)	C(NCCH)(PO3)(H)2	H(NC3)	101.1830	0.000	1	101.1830	0.000	1	101.1830	0.000	1	101.1830	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:4:1:	4:1:1:1:	4:	B-5:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(BZrH3)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	N(BZrH3)(CH3)2(H)	C(NBCH)(H)3	H(NBCC)	108.0335	0.083	2	108.0335	0.007	2	108.0335	0.007	2	106.8643	4.104	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:4:1:	4:1:1:1:	4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(H)3	H(NC[3x3,3x5,12x6]CC)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(H)3	H(NC[3x3,3x5,12x6]CC)	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	106.8643	4.104	3	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:4:1:	4:4:1:1:	4:	B[3,3,5,3x6]-5:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(NB[3,3,5,3x6]CC)	N(B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)2(H)	C(NB[3,3,5,3x6]CH)(CH3)(H)2	H(NB[3,3,5,3x6]CC)	105.5320	2.472	2	105.5320	6.111	2	105.5320	6.111	2	105.8245	2.151	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:4:1:	4:4:1:1:	4:	B[3,3,6,6]-5:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	C(NB[3,3,6,6]CH)(CH3)(H)2	H(NB[3,3,6,6]CC)	N(B[3,3,6,6]B[4x3,5,5,12x6]B[4x3,4,5,7x6]B[3,4,4x6]H)(CCHH)2(H)	C(NB[3,3,6,6]CH)(CH3)(H)2	H(NB[3,3,6,6]CC)	106.1170	0.028	2	106.1170	0.001	2	106.1170	0.001	2	105.8245	2.151	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	5:4:4:1:	4:4:4:4:	4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(CH3)3	H(NC[3x3,3x5,12x6]CC)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]2B[5x3,3x5,11x6]2)(CC3)(CH3)(H)	C(NC[3x3,3x5,12x6]CH)(CH3)3	H(NC[3x3,3x5,12x6]CC)	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1	102.3180	0.000	1	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	6:4:1:1:	4:4:4:4:	4:	C[3x3,3x5,12x6]-6:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(NC[3x3,3x5,12x6]CH)	N(C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Mo)(CC3)(H)2	C(NC[3x3,3x5,12x6]HH)(CH3)3	H(NC[3x3,3x5,12x6]CH)	107.2330	1.017	2	107.2330	1.034	2	107.2330	1.034	2	107.2330	1.034	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	6:4:4:1:	4:3:1:1:	4:	B[3x3,3x5,12x6]-6:C-4:C-4:H-1:	N-4:C[6a]-3:H-1:H-1:	N-4:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	H(NB[3x3,3x5,12x6]CC)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CC[6a]HH)2(H)	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	H(NB[3x3,3x5,12x6]CC)	106.2011	4.506	4	106.2011	20.303	4	106.2011	20.303	4	106.2011	20.303	4	108.9617	6.188	22683	108.9617	6.188	22683
892	490	951	0:SP3_SP-NON_SP3	N	C	H	6:4:4:1:	4:4:1:1:	4:	In[4]-6:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	C(NIn[4]CH)(CH3)(H)2	H(NIn[4]CC)	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	C(NIn[4]CH)(CH3)(H)2	H(NIn[4]CC)	105.3710	1.045	2	105.3710	1.092	2	105.3710	1.092	2	105.3710	1.092	2	108.9617	6.188	22683	108.9617	6.188	22683
892	490	952	0:SP3_SP3_SP3	N	C	S	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:O-1:O-1:	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	S(C[6a]C[6a]2)(NCHH)(O)2	N(CC[6a]CH)(SC[6a]OO)(H)2	C(C[6a]C[6a]2)(CCHS)(NHHS)(H)	S(C[6a]C[6a]2)(NCHH)(O)2	121.1135	0.332	2	121.1135	0.110	2	121.1135	0.110	2	121.1135	0.110	2	119.6520	50.582	4	119.6520	50.582	4
892	490	952	0:SP3_SP3_SP3	N	C	S	4:4:1:1:	3:4:4:4:	3:4:1:1:	C-4:S-4:H-1:H-1:	C[6a]-3:N-4:C-4:C-4:	C[6a]-3:N-4:O-1:O-1:	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	S(C[6a]C[6a]2)(NCHH)(O)2	N(CC[6a]CC)(SC[6a]OO)(H)2	C(C[6a]C[6,6a]C[6a])(NHHS)(CH3)2	S(C[6a]C[6a]2)(NCHH)(O)2	126.6490	0.000	1	126.6490	0.000	1	126.6490	0.000	1	126.6490	0.000	1	119.6520	50.582	4	119.6520	50.582	4
892	490	952	0:SP3_SP3_SP3	N	C	S	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:	N-4:O-1:O-1:O-1:	N(CCHH)3(SO3)	C(CCHH)(NCCS)(H)2	S(NC3)(O)3	N(CCHH)3(SO3)	C(CCHH)(NCCS)(H)2	S(NC3)(O)3	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	119.6520	50.582	4	119.6520	50.582	4