892	466	952	0:SP3_SP3_SP3	N	C[6]	S	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	N-4:O-1:O-1:O-1:	N(C[6]C[6]2H)(SO3)(H)2	C[6](C[6]C[6]HH)2(NHHS)(H)	S(NC[6]HH)(O)3	N(C[6]C[6]2H)(SO3)(H)2	C[6](C[6]C[6]HH)2(NHHS)(H){1|C<4>,4|H<1>}	S(NC[6]HH)(O)3	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1
892	466	956	0:SP3_SP3_SP3	N	C[6]	N	4:3:1:1:	3:4:4:4:	4:1:1:	C[6]-4:N-3:H-1:H-1:	C[6]-3:C[6]-4:N-4:C-4:	N-4:H-1:H-1:	N(C[6]C[6]2C)(NHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3)	N(NC[6]HH)(H)2	N(C[6]C[6]2C)(NHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHHN)(CH3){2|C<3>,2|H<1>}	N(NC[6]HH)(H)2	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1
892	474	490	0:SP3_SP3_SP3	N	C[5,6]	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	114.7445	3.934	2	114.7445	15.473	2	114.7445	15.473	2	114.7445	15.473	2	115.5942	6.266	5	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5,6]	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	C(NC[5,6]HH)(H)3	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	C(NC[5,6]HH)(H)3	115.0715	0.260	2	115.0715	0.067	2	115.0715	0.067	2	115.0715	0.067	2	115.5942	6.266	5	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5,6]	C	4:4:1:1:	4:4:4:4:	3:4:1:1:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C[6a]-3:N-4:H-1:H-1:	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	C(C[6a]C[6a]2)(NC[5,6]HH)(H)2	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	115.5942	6.266	5	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:3:4:1:	3:3:3:4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	C(C[6a]C[6a]2)3(NC[5]HH)	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	C(C[6a]C[6a]2)3(NC[5]HH)	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	C(C[6a]C[6a]N[6a])(NC[5]HH)(H)2	113.3155	0.251	2	113.3155	0.063	2	113.8460	0.401	4	113.8460	0.401	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	C(C[6a]C[6a]2)(NC[5]HH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	C(C[6a]C[6a]2)(NC[5]HH)(H)2	114.3765	0.114	2	114.3765	0.013	2	113.8460	0.401	4	113.8460	0.401	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	117.1237	0.363	3	116.6255	1.080	4	116.6255	1.080	4	116.6255	1.080	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	3:4:4:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[5]HH)(CH3)(H)	115.1310	0.000	1	116.6255	1.080	4	116.6255	1.080	4	116.6255	1.080	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:C-4:H-1:H-1:	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	C(NC[5]HH)(CHHN)(H)2	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	C(NC[5]HH)(CHHN)(H)2	114.3353	0.199	4	114.3353	0.040	4	114.3353	0.040	4	114.3353	0.040	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:C-4:C-3:H-1:	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	C(NC[5]HH)(CCCH)(COO)(H)	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	C(NC[5]HH)(CCCH)(COO)(H)	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	C[6]-4:N-4:H-1:H-1:	N(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO)	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	N(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO){4|H<1>}	C(C[6]C[6]O[6]O)(NC[5]HH)(H)2	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:4:1:	4:3:4:1:	3:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[5]CH)(H)2	110.9315	1.207	2	110.9315	1.457	2	110.9315	1.457	2	110.9315	1.457	2	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:H-1:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(NC[5]CH)(H)3	113.7950	0.130	2	113.7950	0.017	2	112.7910	1.617	4	112.7910	1.617	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:4:1:	4:3:4:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:H-1:H-1:H-1:	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(NC[5]CH)(H)3	111.7870	0.895	2	111.7870	0.801	2	112.7910	1.617	4	112.7910	1.617	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[5]CH)(H)2	112.6815	1.802	4	112.6815	3.249	4	112.6815	3.249	4	112.6815	3.249	4	113.2502	6.893	31	113.5757	7.300	36
892	474	490	0:SP3_SP3_SP3	N	C[5]	C	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:N-4:H-1:	N-4:C-4:H-1:H-1:	N(C[5]C[5,6a]C[5]H)(CCHH)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H)	C(NC[5]CC)(CH3)(H)2	N(C[5]C[5,6a]C[5]H)(CCHH)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(NC3)(H){1|H<1>,1|S<4>,2|C<3>}	C(NC[5]CC)(CH3)(H)2	110.1613	2.627	6	110.1613	6.901	6	110.1613	6.901	6	110.1613	6.901	6	113.2502	6.893	31	113.5757	7.300	36
892	474	951	0:SP3_SP-NON_SP3	N	C[5,5]	H	4:1:1:1:	4:4:4:3:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[3x5]-4:N-4:C-3:	N-4:	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO)	H(NC[5,5]HH)	N(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(NH3)(COO){1|C<3>,5|H<1>}	H(NC[5,5]HH)	111.2870	3.013	3	111.2870	9.080	3	111.2870	9.080	3	111.2870	9.080	3	111.2870	9.080	3	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H)	H(NC[5,6]HH)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(NH3)(H){1|C<4>,5|H<1>}	H(NC[5,6]HH)	109.5040	0.013	3	109.5040	0.000	3	109.4733	0.001	9	109.4733	0.001	9	109.2621	1.937	19	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H)	H(NC[5,6]HH)	N(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(NH3)(H){1|C<4>,5|H<1>}	H(NC[5,6]HH)	109.4580	0.023	6	109.4580	0.001	6	109.4733	0.001	9	109.4733	0.001	9	109.2621	1.937	19	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCHH)(H){3|C<4>,3|H<1>}	H(NC[5,6]CH)	108.5782	0.752	4	108.5782	0.565	4	108.9069	4.142	8	108.9069	4.142	8	109.2621	1.937	19	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-4:H-1:	N-4:	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HN)(NCHH)(H){1|C<4>,5|H<1>}	H(NC[5,6]CH)	109.2355	2.969	4	109.2355	8.813	4	108.9069	4.142	8	108.9069	4.142	8	109.2621	1.937	19	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	N-4:	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	H(NC[5,6]CH)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	H(NC[5,6]CH)	109.7325	2.002	2	109.7325	4.007	2	109.7325	4.007	2	109.7325	4.007	2	109.2621	1.937	19	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:N-4:H-1:	N-4:	N(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H)	H(NC[5]HH)	N(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NH3)(H){2|C<3>,2|H<1>,2|N<3>}	H(NC[5]HH)	109.8053	1.304	3	109.8053	1.699	3	109.8053	1.699	3	109.8053	1.699	3	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NH3)(H){2|C<3>,3|H<1>}	H(NC[5]HH)	109.4647	0.058	3	109.4647	0.003	3	109.4647	0.003	3	109.4647	0.003	3	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(NH3)(H){1|C<4>,1|H<1>}	H(NC[5]HH)	109.4627	0.025	3	109.4627	0.001	3	110.1842	3.237	14	110.1842	3.237	14	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(NH3)(H){1|C<3>,2|H<1>}	H(NC[5]HH)	110.6500	2.833	3	110.6500	8.025	3	110.1842	3.237	14	110.1842	3.237	14	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|C<4>}	H(NC[5]HH)	109.2507	0.483	3	109.3470	0.134	5	110.1842	3.237	14	110.1842	3.237	14	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(NH3)(H){2|H<1>}	H(NC[5]HH)	109.4915	0.032	2	109.3470	0.134	5	110.1842	3.237	14	110.1842	3.237	14	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]O)(NH3)(H)	H(NC[5]HH)	111.8353	2.408	3	111.8353	5.796	3	110.1842	3.237	14	110.1842	3.237	14	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(NH3)(H){1|C<3>,6|H<1>}	H(NC[5]HH)	109.4727	0.045	3	109.4727	0.002	3	109.4727	0.002	3	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(H){2|C<3>}	H(NC[5]HH)	112.7787	1.368	3	112.7787	1.871	3	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NH3)(H){1|C<4>,1|N<4>,2|H<1>}	H(NC[5]HH)	109.4607	0.039	6	109.4607	0.002	6	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<3>,3|H<1>}	H(NC[5]HH)	108.7577	0.711	3	109.0269	0.465	9	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){1|C<4>,3|H<1>}	H(NC[5]HH)	108.8437	0.941	3	109.0269	0.465	9	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NH3)(H){4|H<1>}	H(NC[5]HH)	109.4793	0.025	3	109.0269	0.465	9	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NH3)(H){4|H<1>}	H(NC[5]HH)	110.4630	2.799	3	110.4630	7.837	3	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NH3)(H){4|H<1>}	H(NC[5]HH)	109.4572	0.057	12	109.4572	0.003	12	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(NH3)(H)	H(NC[5]HH)	N(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(NH3)(H){4|H<1>}	H(NC[5]HH)	109.8584	0.725	21	109.8584	0.526	21	109.7823	1.305	54	109.7660	1.240	57	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:N-4:C-3:	N-4:	N(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO)	H(NC[5]HH)	N(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(NH3)(COO){1|C<3>,1|F<1>,3|H<1>}	H(NC[5]HH)	109.4663	0.026	3	109.4663	0.001	3	109.4663	0.001	3	109.9060	4.440	11	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	N-4:	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(COO)	H(NC[5]HH)	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(COO){2|C<3>}	H(NC[5]HH)	111.0633	4.408	3	111.0633	19.435	3	110.0709	6.229	8	109.9060	4.440	11	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	N-4:	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(NH3)(COO)	H(NC[5]HH)	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(NH3)(COO){1|C<3>,3|H<1>}	H(NC[5]HH)	109.4754	0.029	5	109.4754	0.001	5	110.0709	6.229	8	109.9060	4.440	11	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	N-4:	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(NC[5]HH)	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|C<3>,3|H<1>}	H(NC[5]HH)	109.4765	0.009	2	109.4647	0.000	6	109.4647	0.000	6	110.7102	4.328	9	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	N-4:	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(NC[5]HH)	N(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|N<4>,3|H<1>}	H(NC[5]HH)	109.4588	0.013	4	109.4647	0.000	6	109.4647	0.000	6	110.7102	4.328	9	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:P-4:	N-4:	N(C[5]C[5]2P)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(PO3)	H(NC[5]HH)	N(C[5]C[5]2P)(H)3	C[5](C[5]C[5,6a]HH)2(NH3)(PO3){2|C<3>}	H(NC[5]HH)	113.2013	1.830	3	113.2013	3.349	3	113.2013	3.349	3	110.7102	4.328	9	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]C)(NCHH)(H){1|O<1>}	H(NC[5]CH)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(NCHH)(H){1|C<3>,2|H<1>}	H(NC[5]CH)	108.1360	3.278	2	108.1360	10.746	2	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCHH)(H){4|H<1>}	H(NC[5]CH)	108.6716	0.051	7	108.6716	0.003	7	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<3>,2|H<1>}	H(NC[5]CH)	107.9943	0.091	6	108.0689	0.046	7	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(NCHH)(H){2|C<4>,2|H<1>}	H(NC[5]CH)	108.5160	0.000	1	108.0689	0.046	7	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(NCHH)(H){4|H<1>}	H(NC[5]CH)	108.9093	0.056	4	108.9093	0.003	4	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H)	H(NC[5]CH)	N(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(NCHH)(H){1|O<1>}	H(NC[5]CH)	108.6773	0.017	3	108.6773	0.000	3	108.4837	0.617	23	108.4837	0.617	23	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-3:	N-4:	N(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO)	H(NC[5]CH)	N(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)2(NCHH)(COO){4|H<1>}	H(NC[5]CH)	108.6385	0.015	2	108.6385	0.000	2	108.6385	0.000	2	108.6385	0.000	2	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	H(NC[5]CC)	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(NC[5]CC)	105.2385	1.306	2	105.2385	1.706	2	106.0320	2.742	3	106.0320	2.742	3	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H)	H(NC[5]CC)	N(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(NCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(NC[5]CC)	107.6190	0.000	1	107.6190	0.000	1	106.0320	2.742	3	106.0320	2.742	3	109.5018	2.528	128	109.5071	2.582	150
892	474	951	0:SP3_SP-NON_SP3	N	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:N-4:H-1:	N-4:	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H)	H(NC[5]CC)	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(NCCH)(H){1|O<2>,3|H<1>}	H(NC[5]CC)	106.5460	1.681	2	106.5460	2.827	2	106.5460	2.827	2	106.5460	2.827	2	109.5018	2.528	128	109.5071	2.582	150
892	478	490	0:SP3_SP3_SP3	N	C[4]	C	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[4]-4:C-4:C-4:H-1:	C[4,6]-4:C[4]-3:N-4:H-1:	N-4:C-4:C-4:H-1:	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C[4](C[4,6]N[4,6]C[6]C)(C[4]N[4,6]O)(NCCH)(H)	C(NC[4]CH)(CH3)2(H)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C[4](C[4,6]N[4,6]C[6]C)(C[4]N[4,6]O)(NCCH)(H){2|C<4>,2|H<1>}	C(NC[4]CH)(CH3)2(H)	111.9210	2.673	2	111.9210	7.144	2	111.9210	7.144	2	111.9210	7.144	2	109.9099	3.463	11	109.9099	3.463	11
892	478	490	0:SP3_SP3_SP3	N	C[4]	C	4:4:4:4:	4:3:4:1:	4:4:1:1:	C[4]-4:C-4:C-4:C-4:	C[4]-4:N[4]-3:N-4:H-1:	N-4:C-4:H-1:H-1:	N(C[4]C[4]N[4]H)(CCHH)3	C[4](C[4]C[4]HH)(N[4]C[4]C)(NC3)(H)	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]N[4]H)(CCHH)3	C[4](C[4]C[4]HH)(N[4]C[4]C)(NC3)(H){1|O<1>}	C(NC[4]CC)(CH3)(H)2	109.6343	0.738	3	109.6343	0.544	3	109.6343	0.544	3	109.6343	0.544	3	109.9099	3.463	11	109.9099	3.463	11
892	478	490	0:SP3_SP3_SP3	N	C[4]	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	C[4]-4:C[4]-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(C[4]C[4]2H)(CCHH)2(CH3)	C[4](C[4]C[4]CH)2(NC3)(H)	C(NC[4]CC)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	C[4](C[4]C[4]CH)2(NC3)(H){1|C<3>,1|H<1>}	C(NC[4]CC)(H)3	109.4855	3.112	2	109.4855	9.684	2	109.4855	9.684	2	109.4855	9.684	2	109.9099	3.463	11	109.9099	3.463	11
892	478	490	0:SP3_SP3_SP3	N	C[4]	C	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[4]-4:C-4:C-4:C-4:	C[4]-4:C[4]-4:N-4:H-1:	N-4:C-4:H-1:H-1:	N(C[4]C[4]2H)(CCHH)2(CH3)	C[4](C[4]C[4]CH)2(NC3)(H)	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]2H)(CCHH)2(CH3)	C[4](C[4]C[4]CH)2(NC3)(H){1|C<3>,1|H<1>}	C(NC[4]CC)(CH3)(H)2	109.3233	1.490	4	109.3233	2.221	4	109.3233	2.221	4	109.3233	2.221	4	109.9099	3.463	11	109.9099	3.463	11
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:3:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4,5]-4:C[4]-3:N-4:H-1:	N-4:	N(C[4]C[4,5]C[4]H)(H)3	C[4](C[4,5]N[4,5]S[5]H)(C[4]N[4,5]O)(NH3)(H)	H(NC[4]HH)	N(C[4]C[4,5]C[4]H)(H)3	C[4](C[4,5]N[4,5]S[5]H)(C[4]N[4,5]O)(NH3)(H){2|C<4>}	H(NC[4]HH)	109.5803	2.102	3	109.5803	4.418	3	109.5803	4.418	3	109.5803	4.418	3	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:H-1:	N-4:	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]FF)(C[4]C[4]HH)(NH3)(H)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]FF)(C[4]C[4]HH)(NH3)(H){2|H<1>}	H(NC[4]HH)	109.7692	1.554	6	109.7692	2.415	6	109.7708	1.037	29	109.7708	1.037	29	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:H-1:	N-4:	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H){1|F<1>,1|H<1>}	H(NC[4]HH)	109.4443	0.023	3	109.7712	0.771	23	109.7708	1.037	29	109.7708	1.037	29	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:H-1:	N-4:	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H){1|H<1>,1|N<3>}	H(NC[4]HH)	110.7670	2.246	3	109.7712	0.771	23	109.7708	1.037	29	109.7708	1.037	29	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:H-1:	N-4:	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H){2|F<1>}	H(NC[4]HH)	109.7615	0.904	2	109.7712	0.771	23	109.7708	1.037	29	109.7708	1.037	29	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:1:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:H-1:	N-4:	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H)	H(NC[4]HH)	N(C[4]C[4]2H)(H)3	C[4](C[4]C[4]HH)2(NH3)(H){2|H<1>}	H(NC[4]HH)	109.6387	0.422	15	109.7712	0.771	23	109.7708	1.037	29	109.7708	1.037	29	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:1:1:1:	4:4:4:3:	4:	C[4]-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:N-4:C-3:	N-4:	N(C[4]C[4]2C)(H)3	C[4](C[4]C[4]HH)2(NH3)(COO)	H(NC[4]HH)	N(C[4]C[4]2C)(H)3	C[4](C[4]C[4]HH)2(NH3)(COO){1|C<4>,1|O<2>}	H(NC[4]HH)	110.4124	1.830	9	110.4124	3.349	9	110.4124	3.349	9	110.4124	3.349	9	109.8110	1.970	42	109.8110	1.970	42
892	478	951	0:SP3_SP-NON_SP3	N	C[4]	H	4:4:4:1:	4:3:4:1:	4:	C[4]-4:C-4:C-4:H-1:	C[4,6]-4:C[4]-3:N-4:H-1:	N-4:	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C[4](C[4,6]N[4,6]C[6]C)(C[4]N[4,6]O)(NCCH)(H)	H(NC[4]CC)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C[4](C[4,6]N[4,6]C[6]C)(C[4]N[4,6]O)(NCCH)(H){2|C<4>,2|H<1>}	H(NC[4]CC)	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	109.8110	1.970	42	109.8110	1.970	42
892	486	486	0:SP3_SP3_SP3	N	C[3]	C[3]	4:4:4:4:	2:2:4:3:	2:2:4:3:	C[3]-4:C[3]-4:C[3]-4:C[3]-4:	H[3]-2:O[3]-2:N-4:C-3:	H[3]-2:O[3]-2:N-4:C-3:	N(C[3]H[3]O[3]C)4	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	N(C[3]H[3]O[3]C)4	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	110.8870	5.803	2	110.8870	33.669	2	110.8870	33.669	2	110.8870	33.669	2	110.8870	33.669	2	110.8870	33.669	2
892	486	951	0:SP3_SP-NON_SP3	N	C[3]	H	4:1:1:1:	4:4:4:1:	4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:N-4:H-1:	N-4:	N(C[3]C[3]2H)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NH3)(H)	H(NC[3]HH)	N(C[3]C[3]2H)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NH3)(H)	H(NC[3]HH)	110.2027	1.348	3	110.2027	1.816	3	109.8811	1.330	61	109.8811	1.330	61	109.8811	1.330	61	109.8811	1.330	61
892	486	951	0:SP3_SP-NON_SP3	N	C[3]	H	4:1:1:1:	4:4:4:1:	4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:N-4:H-1:	N-4:	N(C[3]C[3]2H)(H)3	C[3](C[3]C[3]HH)2(NH3)(H)	H(NC[3]HH)	N(C[3]C[3]2H)(H)3	C[3](C[3]C[3]HH)2(NH3)(H)	H(NC[3]HH)	109.8645	1.154	58	109.8645	1.331	58	109.8811	1.330	61	109.8811	1.330	61	109.8811	1.330	61	109.8811	1.330	61
892	490	490	0:SP3_SP3_SP3	N	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	C-2:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a])(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a])(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.9678	0.410	6	108.9678	0.168	6	108.9678	0.168	6	108.9678	0.168	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	3:4:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	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(C[6a]C[6a]2)(NC[6a]CH)(H)2	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(C[6a]C[6a]2)(NC[6a]CH)(H)2	109.7507	0.826	4	109.7507	0.682	4	109.7507	0.682	4	109.7507	0.682	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	3:4:1:1:	4:4:4:1:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCCH)(H)	C(C[6a]C[6a]2)(NC[6a]CH)(H)2	C(NC[6a]CH)(CCHH)(CH3)(H)	112.0000	0.000	2	112.0000	0.000	2	112.0000	0.000	2	112.0000	0.000	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	N(C[6a]C[6a,6a]C[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	111.3246	0.904	70	111.3246	0.817	70	111.2164	0.971	108	111.2239	0.968	109	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	110.9990	1.115	37	110.9990	1.243	37	111.2164	0.971	108	111.2239	0.968	109	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	N(C[6a]C[6a]N[6a])(CH3)2(H)	C(NC[6a]CH)(H)3	C(NC[6a]CH)(H)3	111.6850	0.000	1	111.6850	0.000	1	111.2164	0.971	108	111.2239	0.968	109	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:1:1:1:	4:1:1:1:	N-3:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	C(NCHN)(H)3	N(NC[6]H)(CH3)2(H)	C(NCHN)(H)3	C(NCHN)(H)3	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	111.2239	0.968	109	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	C(NC[6a]CH)(COO)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(COO)(H)2	C(NC[6a]CH)(COO)(H)2	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	C(NC[6a]CH)(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)2(H)	C(NC[6a]CH)(CCHH)(H)2	C(NC[6a]CH)(CCHH)(H)2	116.8190	0.000	1	116.8190	0.000	1	113.4536	39.037	13	113.4536	39.037	13	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C(NC[6a]CH)(CH3)(H)2	N(C[6a]C[6a]2)(CCHH)2(H)	C(NC[6a]CH)(CH3)(H)2	C(NC[6a]CH)(CH3)(H)2	113.1732	6.440	12	113.1732	41.471	12	113.4536	39.037	13	113.4536	39.037	13	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	C[6]-4:N-4:C-2:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CC[6]CH)(CH3)(H)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	C(NC[6a]CH)(H)3	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.1015	0.511	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:4:2:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-2:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CCHH)(CC)(H)	C(NC[6a]CH)(H)3	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	111.1015	0.511	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:1:	4:4:4:1:	4:1:1:1:	C[6a]-3:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	C(NC[6a]CH)(H)3	N(C[6a]C[6a]2)(CCCH)(CH3)(H)	C(NC[6a]CH)(CH3)2(H)	C(NC[6a]CH)(H)3	114.6755	0.083	2	114.6755	0.007	2	114.6755	0.007	2	114.6755	0.007	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:3:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)2(CCC)	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C(NC[5]CC)(H)3	N(C[5]C[5]N[5])(CH3)3	C(NC[5]CC)(H)3	C(NC[5]CC)(H)3	108.0142	0.991	9	108.0142	0.982	9	108.0142	0.982	9	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[5a]N[5a,6]C[5a])(CH3)3	C(NC[5a]CC)(H)3	C(NC[5a]CC)(H)3	N(C[5a]N[5a,6]C[5a])(CH3)3	C(NC[5a]CC)(H)3	C(NC[5a]CC)(H)3	107.9670	2.089	3	107.9670	4.362	3	107.9670	4.362	3	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(Cl)(H)2	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(Cl)(H)2	C(NC[6a]CC)(H)3	107.4465	2.883	2	107.4465	8.311	2	107.4465	8.311	2	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	106.3800	0.000	1	106.3800	0.000	1	108.1080	5.723	198	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CClHH)(CH3)2	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	107.1210	0.000	1	107.1210	0.000	1	108.1080	5.723	198	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CH3)3	C(NC[6a]CC)(H)3	C(NC[6a]CC)(H)3	108.1219	2.400	196	108.1219	5.762	196	108.1080	5.723	198	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-3:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaClCr)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	N(GaClCr)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	108.0967	5.441	213	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6a]-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(CCHH)(H)2	C(NC[6a]CC)(H)3	N(C[6a]C[6a]2)(CCHH)(CH3)2	C(NC[6a]CC)(CCHH)(H)2	C(NC[6a]CC)(H)3	108.0455	0.722	2	108.0455	0.521	2	108.0455	0.521	2	109.3085	2.470	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	Ga-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaClCr)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	N(GaClCr)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	110.5715	0.713	2	110.5715	0.509	2	110.5715	0.509	2	109.3085	2.470	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	B[5a]-3:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(B[5a]O[5a]2)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(NB[5a]CC)(CH3)(H)2	110.8462	3.348	6	110.8462	11.209	6	110.8462	11.209	6	110.2976	8.251	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C-3:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]C)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]C)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.2003	1.508	3	109.2003	2.273	3	109.2003	2.273	3	110.2976	8.251	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(NCHH)(H)3	N(CC[6a]2H)(CH3)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(NCHH)(H)3	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	113.9920	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(CCHH)(NCHH)(H)2	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(CCHH)(NCHH)(H)2	115.4280	0.000	1	115.4280	0.000	1	115.4280	0.000	1	114.5007	0.883	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(NCHH)(CH3)(H)2	N(CC[6a]2H)(CCHH)(H)2	C(C[6a]C[6a]2)2(NCHH)(H)	C(NCHH)(CH3)(H)2	114.0370	0.690	2	114.0370	0.476	2	114.0370	0.476	2	114.5007	0.883	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(NCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	N(CC[5a]HH)(CC[5]HH)(H)2	C(C[5a]N[5a]2)(NCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[5a]HH)(CC[6a]HH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	112.8972	2.321	5	112.8972	5.387	5	112.8972	5.387	5	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	113.6970	0.895	3	113.6970	0.801	3	113.6970	0.801	3	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	113.9490	1.901	3	113.9490	3.614	3	112.8024	3.133	53	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	113.0438	1.642	35	113.0438	2.696	35	112.8024	3.133	53	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	112.1700	2.045	12	112.1700	4.181	12	112.8024	3.133	53	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	N(CC[6a]HH)2(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	111.3697	0.737	3	111.3697	0.543	3	112.8024	3.133	53	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	P[6]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(P[6]C[6]2)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(P[6]C[6]2)(NCHH)(H)2	113.3335	0.605	2	113.3335	0.366	2	113.3335	0.366	2	112.8890	3.027	64	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(H)3	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(H)3	114.1223	1.501	12	114.1223	2.253	12	114.0755	1.922	14	114.0755	1.922	14	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(NCHH)(H)3	N(CC[6a]HH)(CH3)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(NCHH)(H)3	113.7950	0.119	2	113.7950	0.014	2	114.0755	1.922	14	114.0755	1.922	14	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(NCHH)(COO)(H)2	114.5880	0.000	1	114.5880	0.000	1	113.0730	4.590	2	113.0730	4.590	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(COO)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(COO)(H)2	111.5580	0.000	1	111.5580	0.000	1	113.0730	4.590	2	113.0730	4.590	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CC[5]HH)(CCHH)(H)2	C(C[5]N[5]2)(NCHH)(H)2	C(NCHH)(CH3)(H)2	111.9850	0.000	1	111.9850	0.000	1	111.9850	0.000	1	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	113.3700	1.702	7	113.3700	2.897	7	113.5953	2.889	8	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(CN[6]HH)(NCHH)(H)2	N(CC[5a]HH)(CCHH)(H)2	C(C[5a]C[5a]S[5a])(NCHH)(H)2	C(CN[6]HH)(NCHH)(H)2	115.1720	0.000	1	115.1720	0.000	1	113.5953	2.889	8	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	N(CC[5a]HH)(CC[6]HH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C(C[6]C[6]2C)(NCHH)(H)2	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	112.5990	1.404	3	112.5990	1.972	3	113.3872	1.281	19	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	113.8560	1.177	3	113.8560	1.386	3	113.3872	1.281	19	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	113.4092	1.101	12	113.4092	1.212	12	113.3872	1.281	19	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]HH)(CCHH)(H)2	C(C[6]C[6]N[6])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	114.0810	0.000	1	114.0810	0.000	1	113.3872	1.281	19	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C(CHHO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C(CHHO)(NCHH)(H)2	114.3040	0.212	2	114.3040	0.045	2	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	113.1386	2.529	5	113.1386	6.393	5	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	113.2217	1.930	6	113.2217	3.724	6	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(CN[5]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(CN[5]HH)(NCHH)(H)2	113.9835	1.275	2	113.9835	1.625	2	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	114.6152	1.792	41	114.6152	3.210	41	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[4]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[4]HH)(NCHH)(H)2	112.6900	0.000	1	112.6900	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	113.5160	0.000	1	113.5160	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	113.6430	1.335	3	113.6430	1.783	3	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6a]CO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6a]CO)(NCHH)(H)2	114.6990	0.000	1	114.6990	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CC[6a]HH)(NCHH)(H)2	112.8890	0.240	2	112.8890	0.058	2	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CClHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CClHH)(NCHH)(H)2	114.0330	0.000	1	114.0330	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	113.1082	1.597	169	113.1082	2.550	169	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	115.1178	1.093	4	115.1178	1.195	4	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	114.0690	0.690	2	114.0690	0.476	2	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CCHH)(NCHH)(H)2	113.6910	0.000	1	113.6910	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CHHN)(NCHH)(H)2	114.0665	2.081	16	114.0665	4.333	16	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CHHS)(NCHH)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CHHS)(NCHH)(H)2	111.8860	0.000	1	111.8860	0.000	1	113.4767	3.024	258	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	N(CC[6a]HH)(CC[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(C[6]C[6]2H)(NCHH)(H)2	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CC3)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CC3)(H)2	108.5490	0.000	1	108.5490	0.000	1	111.0285	12.296	2	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CC[6a]HH)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)(H)2	113.5080	0.000	1	113.5080	0.000	1	111.0285	12.296	2	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(PHOO)(H)2	112.8445	0.841	2	112.8445	0.707	2	112.8445	0.707	2	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	P[6]-4:N-4:H-1:H-1:	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(P[6]C[6]2Pd)(NCHH)(H)2	N(CC[6a]HH)(CP[6]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(P[6]C[6]2Pd)(NCHH)(H)2	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	113.4316	2.941	294	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]N[5a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	113.4225	0.600	2	113.4225	0.360	2	113.4225	0.360	2	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	116.3547	1.114	3	116.3547	1.240	3	115.1459	3.461	10	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCCS)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCCS)(NCHH)(COO)(H)	114.3290	0.129	2	114.3290	0.017	2	115.1459	3.461	10	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(COO)(H)	113.6363	2.528	3	113.6363	6.392	3	115.1459	3.461	10	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHO)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CHHO)(NCHH)(COO)(H)	116.6310	0.000	1	116.6310	0.000	1	115.1459	3.461	10	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	116.1970	0.000	1	116.1970	0.000	1	115.1459	3.461	10	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	113.2680	0.000	1	113.2680	0.000	1	113.6660	4.652	4	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	116.8250	0.000	1	116.8250	0.000	1	113.6660	4.652	4	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]N[6a])(NCHH)(H)2	C(NCHH)(CH3)(COO)(H)	112.2855	0.077	2	112.2855	0.006	2	113.6660	4.652	4	114.5605	3.645	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CC[5a]HH)(CCCH)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	C(NCHH)(CH3)2(H)	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	114.5629	0.699	13	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CC[6a]HH)(CCCH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)2(H)	114.6286	0.837	12	114.6286	0.701	12	114.6286	0.701	12	114.5629	0.699	13	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	C(CHHN)3(NCHH)	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]2)(NCHH)(H)2	C(CHHN)3(NCHH)	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	117.1717	1.170	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C(NCHH)(CH3)3	N(CC[5a]HH)(CC3)(H)2	C(C[5a]C[5a]O[5a])(NCHH)(H)2	C(NCHH)(CH3)3	116.9370	0.793	2	116.9370	0.629	2	116.9370	0.629	2	117.1717	1.170	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-4:C-4:	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(CH3)2	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(CCHH)(NCHH)(CH3)2	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.1717	1.170	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)3	N(CC[6a]HH)(CC3)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	C(NCHH)(CH3)3	117.4730	1.154	6	117.4730	1.332	6	117.4730	1.332	6	117.1717	1.170	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6]-3:N-4:C-3:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(COO)(H)	C(C[6]C[6]2)(NCHH)(H)2	N(CC[6]CH)(CC[6]HH)(H)2	C(C[6]C[6]2)(NCHH)(COO)(H)	C(C[6]C[6]2)(NCHH)(H)2	114.9350	0.010	2	114.9350	0.000	2	114.9350	0.000	2	114.9350	0.000	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCH)(H)	C(NCHH)(H)3	114.8580	0.000	1	114.8580	0.000	1	114.8280	0.002	2	114.8280	0.002	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CCO)(H)	C(NCHH)(H)3	114.7980	0.000	1	114.7980	0.000	1	114.8280	0.002	2	114.8280	0.002	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C(CC[5]HH)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C(CC[5]HH)(NCHH)(H)2	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C(CC[5a]HH)(NCHH)(COO)(H)	N(CC[6a]CH)(CCCH)(H)2	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C(CC[5a]HH)(NCHH)(COO)(H)	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:3:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-3:H-1:	N-4:C-4:C-4:P-4:	N(CC[6a]CH)(CCCP)(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C(NCHH)(CH3)2(PO3)	N(CC[6a]CH)(CCCP)(H)2	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	C(NCHH)(CH3)2(PO3)	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]C)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]C)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	114.1090	0.000	1	114.1090	0.000	1	114.1090	0.000	1	113.7707	2.194	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	113.7707	2.194	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]CH)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	113.8860	0.000	1	113.8860	0.000	1	113.8860	0.000	1	113.7707	2.194	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[6a]HP)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	111.7620	0.000	1	111.7620	0.000	1	111.7620	0.000	1	113.7707	2.194	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:3:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:C-3:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	114.1890	0.000	1	114.1890	0.000	1	114.8487	2.330	3	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	116.5940	0.000	1	116.5940	0.000	1	114.8487	2.330	3	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(CCHH)(NCHH)(H)	113.7630	0.000	1	113.7630	0.000	1	114.8487	2.330	3	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CCCH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	115.4800	0.000	1	115.4800	0.000	1	115.9476	1.193	5	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	117.7750	0.000	1	117.7750	0.000	1	115.9476	1.193	5	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(CHHO)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	115.4943	0.547	3	115.4943	0.299	3	115.9476	1.193	5	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6a]CH)2(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	116.7055	0.288	2	116.7055	0.083	2	116.7055	0.083	2	115.7695	1.552	10	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]O)(CHHO)(NCHH)(H)	C(NCHH)(H)3	114.5610	0.000	1	114.5610	0.000	1	114.5610	0.000	1	114.3954	0.124	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(H)3	114.3334	0.346	14	114.3334	0.119	14	114.3334	0.119	14	114.3954	0.124	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(CC[6a]HN)(NCHH)(H)	C(NCHH)(H)3	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	114.3954	0.124	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(NCHH)(H)3	N(CC[6a]CH)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	C(NCHH)(H)3	114.5190	0.000	1	114.5190	0.000	1	114.5190	0.000	1	114.3954	0.124	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:N-4:H-1:	N-4:C-3:H-1:H-1:	N(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(NCHH)(CCH)(H)2	N(CC[5a]CH)(CCHH)(H)2	C(C[5a]N[5a]2)(CCCH)(NCHH)(H)	C(NCHH)(CCH)(H)2	111.9900	4.148	2	111.9900	17.205	2	111.9900	17.205	2	111.9900	17.205	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(CH3)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(CH3)(H)2	114.9130	1.103	2	114.9130	1.217	2	114.9130	1.217	2	114.2890	0.861	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(NCHH)(H)2	N(CC[6a]CH)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(CH3)(H)	C(CC[6a]HN)(NCHH)(H)2	113.3420	0.496	2	113.3420	0.246	2	113.3420	0.246	2	114.2890	0.861	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	114.4400	0.000	1	114.4400	0.000	1	114.6120	0.059	2	114.2890	0.861	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:P-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	N(CC[6a]HP)(CCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	114.7840	0.000	1	114.7840	0.000	1	114.6120	0.059	2	114.2890	0.861	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:N-4:C-3:H-1:	N(CCCH)2(H)2	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CN[5]O)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(COO)(H)	114.9643	1.555	3	114.9643	2.417	3	114.3270	3.236	4	114.3270	3.236	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	C-4:N-4:C-3:H-1:	N(CCCH)2(H)2	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(COO)(H)	N(CCCH)2(H)2	C(CN[6]O)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(COO)(H)	112.4150	0.000	1	112.4150	0.000	1	114.3270	3.236	4	114.3270	3.236	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N(CCCH)(CC3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(CH3)3	N(CCCH)(CC3)(H)2	C(CC[6a]O)(NCHH)(CH3)(H)	C(NCHH)(CH3)3	119.1700	1.438	2	119.1700	2.069	2	119.1700	2.069	2	119.1700	2.069	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:3:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C(NCHH)(H)3	N(CC[6a]CC)(CH3)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(CCH)	C(NCHH)(H)3	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	3:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-3:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(CH3)2	C(CC[6a]HH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CC[6a]C)(NCHH)(CH3)2	C(CC[6a]HH)(NCHH)(H)2	119.5595	0.241	2	119.5595	0.058	2	119.5595	0.058	2	119.5595	0.058	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:D-1:D-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)2(D)2	C(NCDD)(H)3	C(NCDD)(H)3	N(CH3)2(D)2	C(NCDD)(H)3	C(NCDD)(H)3	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	113.7808	14.725	421	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)2(H)2	C(NCHH)(H)3	C(NCHH)(H)3	N(CH3)2(H)2	C(NCHH)(H)3	C(NCHH)(H)3	113.7831	3.842	420	113.7831	14.758	420	113.7831	14.758	420	113.7808	14.725	421	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:D-1:D-1:D-1:	N(CCHH)(CD3)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(D)3	N(CCHH)(CD3)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(D)3	113.2130	0.000	1	113.2130	0.000	1	113.2130	0.000	1	113.1423	1.141	35	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(H)3	113.1402	1.084	34	113.1402	1.175	34	113.1402	1.175	34	113.1423	1.141	35	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(H)2	C(NCHH)(CCC)(H)2	C(NCHH)(CCH)(H)2	N(CCHH)2(H)2	C(NCHH)(CCC)(H)2	C(NCHH)(CCH)(H)2	115.7440	0.000	1	115.7440	0.000	1	113.4540	2.715	8	113.4540	2.715	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(H)2	C(NCHH)(CCO)(H)2	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(NCHH)(CCO)(H)2	C(NCHH)(COO)(H)2	112.3575	1.238	2	112.3575	1.533	2	113.4540	2.715	8	113.4540	2.715	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(H)2	C(NCHH)(COO)(H)2	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(NCHH)(COO)(H)2	C(NCHH)(COO)(H)2	113.4346	1.567	5	113.4346	2.456	5	113.4540	2.715	8	113.4540	2.715	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)(CHHP)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(PO3)(H)2	N(CCHH)(CHHP)(H)2	C(NCHH)(COO)(H)2	C(NCHH)(PO3)(H)2	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	111.4560	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	C(CHHN)3(NCHH)	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	C(CHHN)3(NCHH)	115.7490	0.893	4	115.7490	0.798	4	116.3226	2.243	5	116.3226	2.243	5	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-4:N-4:	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	C(CHHO)3(NCHH)	N(CCHH)(CC3)(H)2	C(NCHH)(COO)(H)2	C(CHHO)3(NCHH)	118.6170	0.000	1	118.6170	0.000	1	116.3226	2.243	5	116.3226	2.243	5	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	114.9700	0.173	2	114.9700	0.030	2	112.6807	3.001	37	112.6807	3.001	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(H)2	112.5499	1.689	35	112.5499	2.851	35	112.6807	3.001	37	112.6807	3.001	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	3:4:4:1:	C-4:C-4:H-1:H-1:	C[6,6]-4:N-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	N(CC[6,6]HH)(CC[6a]CH)(H)2	C(C[6,6]C[3x6]C[6,6]H)(NCHH)(H)2	C(C[6a]C[6a]2)(NCHH)(CH3)(H)	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CBrHH)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CBrHH)(NCHH)(H)2	C(NCHH)(H)3	111.6880	0.000	1	111.6880	0.000	1	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(H)3	113.5117	1.324	25	113.5117	1.752	25	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(H)3	114.8250	0.000	1	114.8250	0.000	1	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CC[5a]HH)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CC[5a]HH)(NCHH)(H)2	C(NCHH)(H)3	114.1780	0.000	1	114.1780	0.000	1	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CC[6]HO)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CC[6]HO)(NCHH)(H)2	C(NCHH)(H)3	113.0020	0.000	1	113.0020	0.000	1	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(H)2	C(NCHH)(H)3	113.5665	0.258	2	113.5665	0.067	2	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(H)3	114.1127	0.983	10	114.1127	0.966	10	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(H)3	113.0417	1.672	45	113.0417	2.795	45	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(H)2	C(CHHS)(NCHH)(H)2	C(NCHH)(H)3	N(CCHH)(CH3)(H)2	C(CHHS)(NCHH)(H)2	C(NCHH)(H)3	114.1010	0.000	1	114.1010	0.000	1	113.3416	2.220	87	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(NCHH)(H)3	N(CC[5]HH)(CH3)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(NCHH)(H)3	112.1754	1.154	13	112.1754	1.332	13	112.1754	1.332	13	113.1900	2.245	100	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(COO)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(COO)(H)2	113.6920	0.000	1	113.6920	0.000	1	113.7175	0.001	2	113.7175	0.001	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CNO)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CNO)(H)2	113.7430	0.000	1	113.7430	0.000	1	113.7175	0.001	2	113.7175	0.001	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CBrHH)(NCHH)(H)2	C(CBrHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CBrHH)(NCHH)(H)2	C(CBrHH)(NCHH)(H)2	113.1028	0.910	4	113.1028	0.828	4	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CCCH)(NCHH)(H)2	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CCCH)(NCHH)(H)2	113.9398	1.179	5	113.9398	1.390	5	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CCCH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	117.9505	1.382	2	117.9505	1.911	2	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CCCN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	114.5114	0.945	8	114.5114	0.892	8	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCFH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CCFH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	117.0630	0.127	2	117.0630	0.016	2	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	114.8557	1.857	58	114.8557	3.448	58	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CCHN)(NCHH)(H)2	113.6980	0.000	1	113.6980	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	115.0701	2.138	86	115.0701	4.569	86	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	114.5330	0.000	1	114.5330	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	116.1493	1.016	3	116.1493	1.032	3	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CCHO)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	117.6040	2.455	2	117.6040	6.027	2	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CC[5]HH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CC[5]HH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	112.5320	0.000	1	112.5320	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CC[6]HH)(NCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	N(CCHH)2(H)2	C(CC[6]HH)(NCHH)(H)2	C(CC[6]HH)(NCHH)(H)2	112.5523	3.471	3	112.5523	12.050	3	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CC[6]HO)(NCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	N(CCHH)2(H)2	C(CC[6]HO)(NCHH)(H)2	C(CC[6]HO)(NCHH)(H)2	111.6020	0.000	1	111.6020	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CC[6a]HH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CC[6a]HH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	112.8460	0.000	1	112.8460	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	114.1030	2.245	139	114.1030	5.039	139	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	114.1026	3.346	8	114.1026	11.196	8	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(CHHO)(NCHH)(H)2	113.4186	1.425	17	113.4186	2.031	17	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHS)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	N(CCHH)2(H)2	C(CHHS)(NCHH)(H)2	C(CHHS)(NCHH)(H)2	113.6730	1.928	4	113.6730	3.717	4	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CN[5a]HH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2(H)2	C(CN[5a]HH)(NCHH)(H)2	C(CHHN)(NCHH)(H)2	111.2030	0.000	1	111.2030	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(H)2	C(CSiHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	N(CCHH)2(H)2	C(CSiHH)(NCHH)(H)2	C(CCHH)(NCHH)(H)2	118.5030	0.000	1	118.5030	0.000	1	114.4772	4.782	348	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(CH3)(H)2	114.2960	1.020	3	114.2960	1.041	3	113.7465	1.997	23	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CC3)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CC3)(H)2	112.0300	0.509	2	112.0300	0.259	2	113.7465	1.997	23	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)(H)2	113.8296	1.469	17	113.8296	2.159	17	113.7465	1.997	23	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CH3)(H)2	114.1170	0.000	1	114.1170	0.000	1	113.7465	1.997	23	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(NCHH)(CH3)(H)2	N(CC[5]HH)(CCHH)(H)2	C(C[5]C[5]2Fe)(NCHH)(H)2	C(NCHH)(CH3)(H)2	114.7670	0.000	1	114.7670	0.000	1	114.7670	0.000	1	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	C(NCHH)(CC3)(H)2	N(CCHH)2(H)2	C(NCHH)(CC3)(H)2	C(NCHH)(CC3)(H)2	109.6205	1.184	2	109.6205	1.403	2	113.8394	7.322	78	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(H)2	C(NCHH)(CH3)(H)2	C(NCHH)(CH3)(H)2	N(CCHH)2(H)2	C(NCHH)(CH3)(H)2	C(NCHH)(CH3)(H)2	113.9504	2.648	76	113.9504	7.012	76	113.8394	7.322	78	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CHHP)2(H)2	C(NCHH)(PO3)(H)2	C(NCHH)(PO3)(H)2	N(CHHP)2(H)2	C(NCHH)(PO3)(H)2	C(NCHH)(PO3)(H)2	114.6679	0.551	11	114.6679	0.304	11	114.6679	0.304	11	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	P-4:N-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N(CHHP)2(H)2	C(PC[6a]NiC)(NCHH)(H)2	C(PC[6a]NiC)(NCHH)(H)2	N(CHHP)2(H)2	C(PC[6a]NiC)(NCHH)(H)2	C(PC[6a]NiC)(NCHH)(H)2	117.7970	0.000	1	117.7970	0.000	1	117.7970	0.000	1	114.3455	5.027	462	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(CH3)2(H)	115.0770	1.146	3	115.0770	1.312	3	115.4767	2.620	26	115.4303	2.423	29	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(CH3)2(H)	115.2933	1.516	6	115.2933	2.300	6	115.4767	2.620	26	115.4303	2.423	29	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(CH3)2(H)	116.0515	1.394	6	116.0515	1.943	6	115.4767	2.620	26	115.4303	2.423	29	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)2(H)	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)2(H)	115.3723	1.972	11	115.3723	3.887	11	115.4767	2.620	26	115.4303	2.423	29	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:P-4:H-1:	N(CCHH)(CHPP)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(PO3)2(H)	N(CCHH)(CHPP)(H)2	C(CCHH)(NCHH)(H)2	C(NCHH)(PO3)2(H)	115.0283	0.949	3	115.0283	0.900	3	115.0283	0.900	3	115.4303	2.423	29	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:C-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-3:	N(CC[6]HH)(CC3)(H)2	C(C[6]C[6]O[6]O)(NCHH)(H)2	C(NCHH)(CH3)2(COO)	N(CC[6]HH)(CC3)(H)2	C(C[6]C[6]O[6]O)(NCHH)(H)2	C(NCHH)(CH3)2(COO)	115.2895	0.173	2	115.2895	0.030	2	115.2895	0.030	2	115.2895	0.030	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(CC3)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(CH3)3	N(CCHH)(CC3)(H)2	C(CCHO)(NCHH)(H)2	C(NCHH)(CH3)3	116.7250	0.000	1	116.7250	0.000	1	117.2212	0.579	17	117.2212	0.579	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(CC3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(CH3)3	N(CCHH)(CC3)(H)2	C(CC[6a]HO)(NCHH)(H)2	C(NCHH)(CH3)3	117.2362	0.823	10	117.2362	0.677	10	117.2212	0.579	17	117.2212	0.579	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)3	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(H)2	C(NCHH)(CH3)3	117.8800	0.000	1	117.8800	0.000	1	117.2212	0.579	17	117.2212	0.579	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(CC3)(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CH3)3	N(CCHH)(CC3)(H)2	C(CHHO)(NCHH)(H)2	C(NCHH)(CH3)3	117.4862	0.324	4	117.4862	0.105	4	117.2212	0.579	17	117.2212	0.579	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(CC3)(H)2	C(CN[5]HH)(NCHH)(H)2	C(NCHH)(CH3)3	N(CCHH)(CC3)(H)2	C(CN[5]HH)(NCHH)(H)2	C(NCHH)(CH3)3	115.8490	0.000	1	115.8490	0.000	1	117.2212	0.579	17	117.2212	0.579	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[3]-4:N-4:C-3:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[3]C[3]2H)(NCHH)(CCH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[3]CH)(H)2	C(C[3]C[3]2H)(NCHH)(CCH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	114.7200	0.785	2	114.7200	0.616	2	114.7200	0.616	2	114.7200	0.616	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CCCH)(NCHH)(CNO)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CCCH)(NCHH)(CNO)(H)	C(NCHH)(H)3	113.2680	0.000	1	113.2680	0.000	1	113.6100	1.036	3	114.3649	0.893	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(H)3	114.7550	0.000	1	114.7550	0.000	1	113.6100	1.036	3	114.3649	0.893	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(COO)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CCHH)(NCHH)(COO)(H)	C(NCHH)(H)3	112.8070	0.000	1	112.8070	0.000	1	113.6100	1.036	3	114.3649	0.893	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(NCHH)(CH3)(CCH)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(NCHH)(CH3)(CCH)(H)	C(NCHH)(H)3	114.9310	0.314	4	114.9310	0.099	4	114.9310	0.099	4	114.3649	0.893	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-3:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(CCH)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(CCH)(H)2	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	115.5602	1.370	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:3:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-3:H-1:	N-4:P-3:H-1:H-1:	N(CCCH)(CHHP)(H)2	C(NCHH)(CH3)(COO)(H)	C(NCHH)(PCC)(H)2	N(CCCH)(CHHP)(H)2	C(NCHH)(CH3)(COO)(H)	C(NCHH)(PCC)(H)2	115.9294	0.406	8	115.9294	0.165	8	115.9294	0.165	8	115.5602	1.370	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CCCH)(NCHH)(COO)(H)	C(CCHH)(NCHH)(H)2	112.0260	0.000	1	112.0260	0.000	1	113.7442	1.790	5	113.7800	1.440	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCHH)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(CCHH)(NCHH)(H)2	114.1350	1.833	2	114.1350	3.359	2	113.7442	1.790	5	113.7800	1.440	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(CHHN)(NCHH)(H)2	114.2125	0.326	2	114.2125	0.106	2	113.7442	1.790	5	113.7800	1.440	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(CC3)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CNO)(H)	C(NCHH)(CC3)(H)2	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.7800	1.440	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-4:C-3:H-1:	N(CCCH)2(H)2	C(CCHO)(NCHH)(CCH)(H)	C(NCHH)(CH3)(CCH)(H)	N(CCCH)2(H)2	C(CCHO)(NCHH)(CCH)(H)	C(NCHH)(CH3)(CCH)(H)	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(H)2	C(CCCH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	C(CCCH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	114.9045	1.102	2	114.9045	1.215	2	115.5187	2.680	6	115.5187	2.680	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	C(CCHH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	116.3350	1.959	2	116.3350	3.836	2	115.5187	2.680	6	115.5187	2.680	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	C(CC[6a]HH)(NCHH)(COO)(H)	C(NCHH)(CH3)2(H)	115.3165	2.485	2	115.3165	6.178	2	115.5187	2.680	6	115.5187	2.680	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:3:3:	4:3:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-3:C-3:	N-4:C-3:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(CHN)2	C(NCHH)(COO)(H)2	N(CCHH)(CC3)(H)2	C(CHHN)(NCHH)(CHN)2	C(NCHH)(COO)(H)2	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CCCH)(H)2	C(CC[6a]CH)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	115.4700	0.000	1	115.4700	0.000	1	115.4700	0.000	1	116.3725	2.801	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	N(CC[6a]HH)(CC[5]CH)(H)2	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C(C[6a]C[6a]2)(NCHH)(H)2	116.6733	1.913	3	116.6733	3.658	3	116.6733	3.658	3	116.3725	2.801	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CC[6]HO)(NCHH)(CH3)(H)	C(NCHH)(H)3	116.2960	0.074	2	116.2960	0.005	2	115.5266	0.910	43	115.5266	0.910	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(NCHH)(H)3	115.8120	0.747	3	115.8120	0.558	3	115.5266	0.910	43	115.5266	0.910	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(NCHH)(H)3	N(CCCH)(CH3)(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(NCHH)(H)3	115.4636	0.980	38	115.4636	0.960	38	115.5266	0.910	43	115.5266	0.910	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(NCHH)(CC)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(NCHH)(CC)(H)2	116.8375	0.053	2	116.8375	0.003	2	116.8375	0.003	2	116.8375	0.003	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(CHHO)(NCHH)(H)	C(CHHN)(NCHH)(H)2	115.5977	1.329	7	115.5977	1.767	7	115.3890	3.016	9	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(CCHH)(NCHH)(H)	C(CCHH)(NCHH)(H)2	114.6585	3.487	2	114.6585	12.157	2	115.3890	3.016	9	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C[5]-4:N-4:H-1:H-1:	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[5]C[5]2Fe)(NCHH)(H)2	N(CC[5]HH)(CCCH)(H)2	C(CC[6a]HH)(CHHO)(NCHH)(H)	C(C[5]C[5]2Fe)(NCHH)(H)2	114.9560	0.000	1	114.9560	0.000	1	114.9560	0.000	1	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CHHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CHHN)(NCHH)(H)2	115.0353	0.766	15	115.0353	0.587	15	115.4608	1.752	30	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CC[6a]HO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CC[6a]HO)(NCHH)(H)2	115.4040	0.000	1	115.4040	0.000	1	115.4608	1.752	30	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CC[6a]HH)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(H)2	117.4800	4.083	2	117.4800	16.670	2	115.4608	1.752	30	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHN)(NCHH)(CH3)(H)	C(CCHN)(NCHH)(H)2	116.3785	0.967	6	116.3785	0.935	6	115.4608	1.752	30	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(H)2	N(CCCH)(CCHH)(H)2	C(CHHO)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(H)2	114.9432	0.860	6	114.9432	0.739	6	115.4608	1.752	30	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:P-4:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)(CCHP)(H)2	C(CCHH)(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	N(CCHH)(CCHP)(H)2	C(CCHH)(NCHH)(PO3)(H)	C(CHHO)(NCHH)(H)2	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	115.4472	1.889	41	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N-4:P-4:P-4:H-1:	N(CCCH)(CHPP)(H)2	C(CCHH)2(NCHH)(H)	C(NCHH)(PO3)2(H)	N(CCCH)(CHPP)(H)2	C(CCHH)2(NCHH)(H)	C(NCHH)(PO3)2(H)	118.3540	1.123	2	118.3540	1.261	2	118.3540	1.261	2	117.8114	2.200	72	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(CCHH)(NCHH)(CH3)(H)	C(CCHH)(NCHH)(CH3)(H)	118.2430	0.000	1	118.2430	0.000	1	118.8495	0.736	2	117.8114	2.200	72	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(CH3)(H)	N(CCCH)2(H)2	C(CC[6a]HO)(NCHH)(CH3)(H)	C(CHHO)(NCHH)(CH3)(H)	119.4560	0.000	1	119.4560	0.000	1	118.8495	0.736	2	117.8114	2.200	72	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	C[5]-4:N-4:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	N(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	N(CC[5]CH)2(H)2	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	C(C[5]C[5]2Fe)(NCHH)(CH3)(H)	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.8114	2.200	72	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(H)2	C(NCHH)(CH3)2(H)	C(NCHH)(CH3)2(H)	N(CCCH)2(H)2	C(NCHH)(CH3)2(H)	C(NCHH)(CH3)2(H)	117.7686	1.514	67	117.7686	2.292	67	117.7686	2.292	67	117.8114	2.200	72	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:3:	4:4:1:1:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-3:	N-4:C-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	C(NCHH)(CH3)(H)2	N(CCHH)(CC3)(H)2	C(NCHH)(CH3)2(COO)	C(NCHH)(CH3)(H)2	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	116.0120	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	3:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-3:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CC[6a]C)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CC[6a]C)(NCHH)(H)2	119.0265	0.098	2	119.0265	0.010	2	119.0265	0.010	2	119.0265	0.010	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	3:4:4:4:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-3:N-4:C-4:C-4:	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CC[6a]C)(NCHH)(CH3)2	N(CC3)2(H)2	C(CC[6a]HH)(NCHH)(CH3)2	C(CC[6a]C)(NCHH)(CH3)2	126.1960	0.000	1	126.1960	0.000	1	126.1960	0.000	1	126.1960	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:1:1:1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N-4:H-1:H-1:H-1:	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(NCHH)(H)3	N(CC3)(CH3)(H)2	C(CCHH)(CCHO)(CHHN)(NCHH)	C(NCHH)(H)3	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCHH)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCHH)(NCHH)(H)2	117.0470	0.000	1	117.0470	0.000	1	118.0894	11.427	25	118.0894	11.427	25	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CCHN)(NCHH)(H)2	117.3580	1.017	3	117.3580	1.034	3	118.0894	11.427	25	118.0894	11.427	25	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CCHH)(NCHH)(CH3)2	C(CHHN)(NCHH)(H)2	118.1524	3.854	19	118.1524	14.852	19	118.0894	11.427	25	118.0894	11.427	25	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:H-1:H-1:	C-4:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	C(CCHO)(NCHH)(H)2	N(CCHH)(CC3)(H)2	C(CC[5]HH)(NCHH)(CH3)2	C(CCHO)(NCHH)(H)2	119.1095	0.026	2	119.1095	0.001	2	118.0894	11.427	25	118.0894	11.427	25	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:1:1:	4:4:4:4:	4:4:4:4:	C-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N-4:C-4:C-4:C-4:	N(CC3)2(H)2	C(NCHH)(CH3)3	C(NCHH)(CH3)3	N(CC3)2(H)2	C(NCHH)(CH3)3	C(NCHH)(CH3)3	126.3923	0.510	3	126.3923	0.261	3	126.3923	0.261	3	126.3923	0.261	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	C(NCHO)(H)3	N(CCHH)(CH3)(OGa)(H)	C(CHHN)(NCHO)(H)2	C(NCHO)(H)3	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:O-2:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	C(NCHO)(CH3)(H)2	N(CCHH)2(OH)(H)	C(NCHO)(CH3)(H)2	C(NCHO)(CH3)(H)2	112.6380	1.561	2	112.6380	2.438	2	112.6380	2.438	2	112.6380	2.438	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:2:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-2:C-2:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(NC3)(CC)(H)2	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(NC3)(CC)(H)2	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-2:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)2(CC)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	109.4300	2.782	2	109.4300	7.738	2	109.4300	7.738	2	109.4300	7.738	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:Ge-2:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(GeCl)(CH3)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(H)3	N(CCHH)2(GeCl)(CH3)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(H)3	109.4850	0.247	2	109.4850	0.061	2	109.4850	0.061	2	109.4850	0.061	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:2:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:Ge-2:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(GeCl)(CH3)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)2(GeCl)(CH3)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(CHHN)(H)2	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)2(NHH)(H)	C(NCHN)(H)3	C(NCHN)(H)3	N(CH3)2(NHH)(H)	C(NCHN)(H)3	C(NCHN)(H)3	112.1348	0.437	5	112.1348	0.191	5	112.0547	0.191	6	112.0547	0.191	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:N-3:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)2(NHP)(H)	C(NCHN)(H)3	C(NCHN)(H)3	N(CH3)2(NHP)(H)	C(NCHN)(H)3	C(NCHN)(H)3	111.6540	0.000	1	111.6540	0.000	1	112.0547	0.191	6	112.0547	0.191	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)2(CHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	108.4780	0.000	1	108.4780	0.000	1	110.5533	3.822	3	110.5533	3.822	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)2(CNO)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	111.5910	1.088	2	111.5910	1.183	2	110.5533	3.822	3	110.5533	3.822	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:3:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-3:C-3:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)2	C(NC3)(CCH)(H)2	N(CCHH)2(CCH)2	C(NC3)(CCH)(H)2	C(NC3)(CCH)(H)2	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	109.9820	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)2(CCH)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	112.3360	0.000	1	112.3360	0.000	1	106.2337	27.934	3	106.2337	27.934	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)2(CCH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	103.1100	0.000	1	103.1100	0.000	1	106.2337	27.934	3	106.2337	27.934	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:3:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-3:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)2(CHH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	103.2550	0.000	1	103.2550	0.000	1	106.2337	27.934	3	106.2337	27.934	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:3:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(H)3	N(CC[6a]2H)(CH3)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(H)3	111.0155	1.002	2	111.0155	1.004	2	111.0155	1.004	2	111.0155	1.004	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:3:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(CHH)(H)2	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(CCHO)(NCCH)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(CCHO)(NCCH)(H)2	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	110.0810	5.138	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:3:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-4:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(CH3)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(C[6a]C[6a]2)2(NCCH)(H)	C(NCCH)(CH3)(H)2	110.4465	3.078	2	110.4465	9.474	2	110.4465	9.474	2	110.0810	5.138	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C(C[6a]C[6a]2)(NBCH)(H)2	111.8030	0.000	1	111.8030	0.000	1	111.3730	0.370	2	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C(C[6a]C[6a]N[6a])(NBCH)(H)2	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	C(C[6a]C[6a]N[6a])(NBCH)(H)2	110.9430	0.000	1	110.9430	0.000	1	111.3730	0.370	2	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	C(C[5]C[5]N[5])(NCCH)(H)2	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	C(C[5]C[5]N[5])(NCCH)(H)2	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	C[5a]-3:N-4:H-1:H-1:	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(C[5a]C[5a]N[5a])(NCCH)(H)2	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(C[5a]C[5a]N[5a])(NCCH)(H)2	113.1265	0.646	2	113.1265	0.417	2	113.1265	0.417	2	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(C[6]C[6]2)(NCCH)(H)2	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6]C[6]2)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6]C[6]2)(NCCH)(H)2	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	109.2603	1.176	3	109.2603	1.383	3	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	109.4857	0.980	3	109.4857	0.960	3	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	110.4124	1.986	20	110.4124	3.944	20	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	106.1900	0.000	1	106.1900	0.000	1	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	109.5400	0.000	1	109.5400	0.000	1	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	109.1580	0.000	1	109.1580	0.000	1	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	111.5207	0.995	3	111.5207	0.989	3	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	111.4015	1.531	48	111.4015	2.344	48	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	N(CC[6a]HH)3(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(C[6a]C[6a]N[6a])(NCCH)(H)2	111.6468	1.921	6	111.6468	3.691	6	110.9429	3.206	86	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C(C[6a]C[6a]2)(NC[5]CH)(H)2	N(C[5]C[5]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C(C[6a]C[6a]2)(NC[5]CH)(H)2	109.9140	1.370	2	109.9140	1.878	2	109.9140	1.878	2	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(C[6a]C[6a]2)(NC[6]CH)(H)2	110.7100	0.000	1	110.7100	0.000	1	109.5810	0.958	3	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	3:4:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C(C[6a]C[6a]2)(NC[6]CH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C(C[6a]C[6a]2)(NC[6]CH)(H)2	109.0165	0.069	2	109.0165	0.005	2	109.5810	0.958	3	110.9393	3.085	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5]HH)2(CH3)(H)	C(C[5]C[5]N[5])(NCCH)(H)2	C(NCCH)(H)3	110.9100	0.952	2	110.9100	0.906	2	110.9100	0.906	2	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a,6a]C[5a])(NCCH)(H)2	C(NCCH)(H)3	111.4450	1.394	2	111.4450	1.944	2	111.6919	1.211	14	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(NCCH)(H)3	112.1605	1.155	4	112.1605	1.334	4	111.6919	1.211	14	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	C(C[5a]C[5a]O[5a])(NCCH)(H)2	C(NCCH)(H)3	112.5900	0.088	2	112.5900	0.008	2	111.6919	1.211	14	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	C(C[5a]N[5a,6a]C[5a])(NCCH)(H)2	C(NCCH)(H)3	111.1545	2.019	2	111.1545	4.076	2	111.6919	1.211	14	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[5a]HH)2(CH3)(H)	C(C[5a]C[5a]N[5a])(NCCH)(H)2	C(NCCH)(H)3	111.1665	0.688	4	111.1665	0.474	4	111.6919	1.211	14	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	110.8835	1.974	2	110.8835	3.895	2	112.1118	1.567	8	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	112.2795	0.149	2	112.2795	0.022	2	112.1118	1.567	8	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(C[6]S[6]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(C[6]S[6]2)(NCCH)(H)2	C(NCCH)(H)3	112.9660	0.574	2	112.9660	0.330	2	112.1118	1.567	8	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)2(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(NCCH)(H)3	112.3180	1.451	2	112.3180	2.105	2	112.1118	1.567	8	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	110.7115	0.421	2	110.7115	0.177	2	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C(NCCH)(H)3	111.5110	0.096	2	111.5110	0.009	2	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C(NCCH)(H)3	111.4033	1.210	6	111.4033	1.465	6	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(H)3	111.3047	1.691	14	111.3047	2.861	14	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a,6a]C[6a])(NCCH)(H)2	C(NCCH)(H)3	111.2692	1.223	4	111.2692	1.495	4	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	111.6475	1.393	38	111.6475	1.939	38	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(NCCH)(H)3	112.7580	0.129	2	112.7580	0.017	2	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(H)3	112.8520	0.000	1	112.8520	0.000	1	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)2(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(H)3	111.4520	0.000	1	111.4520	0.000	1	111.5519	1.864	70	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[5]CH)(H)2	C(NC[5]CH)(H)3	111.3240	0.908	2	111.3240	0.824	2	111.3240	0.824	2	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(NC[6]CH)(H)3	111.6200	0.000	1	111.6200	0.000	1	111.7885	0.057	2	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6]CH)(H)2	C(NC[6]CH)(H)3	111.9570	0.000	1	111.9570	0.000	1	111.7885	0.057	2	111.6047	1.656	98	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC)(H)2	112.4230	0.286	2	112.4230	0.082	2	112.4230	0.082	2	112.4230	0.082	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	C(NCCH)(COO)(H)2	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C(NCCH)(CCH)(H)2	113.2510	0.000	1	113.2510	0.000	1	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(COO)(H)2	109.5960	0.000	1	109.5960	0.000	1	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CCH)(H)2	108.9310	0.000	1	108.9310	0.000	1	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CHO)(H)2	109.8390	2.208	2	109.8390	4.873	2	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(COO)(H)2	111.6840	2.911	4	111.6840	8.475	4	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(NCCH)(COO)(H)2	113.0715	1.032	2	113.0715	1.064	2	111.3032	5.482	11	111.4771	5.346	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	113.0690	1.157	2	113.0690	1.338	2	111.5354	2.651	12	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	110.0938	0.917	4	110.0938	0.841	4	111.5354	2.651	12	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	C(C[6]C[6]N[6])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	111.4912	0.968	5	111.4912	0.937	5	111.5354	2.651	12	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6]C[6]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	114.4560	0.000	1	114.4560	0.000	1	111.5354	2.651	12	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.2575	0.788	2	112.2575	0.622	2	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)(CH3)(H)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	114.2425	0.136	2	114.2425	0.019	2	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.6690	0.872	4	112.6690	0.760	4	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	108.7120	2.462	2	108.7120	6.062	2	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCuCH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCuCH)(NCCH)(H)2	110.1370	0.000	1	110.1370	0.000	1	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	111.5420	1.946	5	111.5420	3.789	5	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	111.8713	1.224	17	111.8713	1.499	17	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	111.2685	1.113	4	111.2685	1.240	4	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(CCHH)(NCCH)(H)2	112.3020	0.000	1	112.3020	0.000	1	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]N[6a])(NCCH)(H)2	C(CHHN)(NCCH)(H)2	111.1888	1.458	6	111.1888	2.125	6	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	109.8520	0.000	1	109.8520	0.000	1	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.7220	0.118	3	112.7220	0.014	3	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	112.3008	1.618	17	112.3008	2.617	17	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CC[6a]CH)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CC[6a]CH)(NCCH)(H)2	112.4940	1.775	2	112.4940	3.150	2	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.1126	1.899	21	112.1126	3.607	21	111.9517	2.672	88	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a,6a]2)(NCCH)(H)2	C(NCCH)(CH3)(H)2	110.8180	0.477	2	110.8180	0.227	2	111.6607	1.932	17	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC3)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC3)(H)2	112.8310	0.000	1	112.8310	0.000	1	111.6607	1.932	17	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.4807	1.447	12	111.4807	2.094	12	111.6607	1.932	17	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC3)(H)2	N(CC[6a]HH)2(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CC3)(H)2	112.9985	0.948	2	112.9985	0.899	2	111.6607	1.932	17	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	112.6150	0.000	1	112.6150	0.000	1	112.3163	2.177	7	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)(CHHP)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	111.5405	2.246	2	111.5405	5.047	2	112.3163	2.177	7	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PCOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PCOO)(H)2	113.1805	0.124	2	113.1805	0.015	2	112.3163	2.177	7	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(PHOO)(H)2	112.0785	2.258	2	112.0785	5.098	2	112.3163	2.177	7	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(PC[6a]OO)(NCCH)(H)2	N(CC[6a]HH)2(CHHP)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(PC[6a]OO)(NCCH)(H)2	110.9935	0.542	2	110.9935	0.294	2	110.9935	0.294	2	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(NC[6]CH)(CCHH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6]CH)(H)2	C(NC[6]CH)(CCHH)(H)2	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	111.8642	2.496	127	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:3:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-3:H-1:	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(CCH)(H)	N(CC[6a]HH)2(CCCH)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(NCCH)(CCH)(H)	113.4492	1.825	6	113.4492	3.331	6	113.4492	3.331	6	113.4492	3.331	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(CCHN)(NCCH)(H)	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(CCHH)(CCHN)(NCCH)(H)	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	114.6830	5.361	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:C-4:H-1:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C(CN[5]HH)(NCCH)(CH3)(H)	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	114.6830	5.361	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CC[6a]HH)(CCCH)2(H)	C(C[6a]C[6a]2)(NCCH)(H)2	C(NCCH)(CH3)2(H)	112.6990	0.000	1	112.6990	0.000	1	112.6990	0.000	1	114.6830	5.361	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:4:1:	3:4:4:1:	C-4:C-4:P-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	N(CC[6a]CH)2(PPdOO)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	C(C[6a]C[6a]2)(NCHP)(CH3)(H)	116.9105	0.418	2	116.9105	0.175	2	116.9105	0.175	2	116.9105	0.175	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CCHH)(NCCH)(H)2	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CCHH)(NCCH)(H)2	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	111.2085	1.673	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C[3]-4:N-4:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	111.2085	1.673	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	3:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[6a]-3:N-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CCHH)2(NCCH)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(C[6a]C[6a]2)(NCCH)(CH3)(H)	C(CCHH)2(NCCH)(H)	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	113.2860	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	110.0740	0.000	1	110.0740	0.000	1	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	108.5520	0.000	1	108.5520	0.000	1	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BH3)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	110.3760	0.000	1	110.3760	0.000	1	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	110.3790	0.000	1	110.3790	0.000	1	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	110.2360	0.491	2	110.2360	0.241	2	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	110.4087	0.348	4	110.4087	0.121	4	110.1488	0.394	10	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B[5a]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	C(NB[5a]CH)(H)3	N(B[5a]B[5a]S[5a]2)(CH3)2(H)	C(NB[5a]CH)(H)3	C(NB[5a]CH)(H)3	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]Cl)(CH3)2(H)	C(NB[6,6]CH)(H)3	C(NB[6,6]CH)(H)3	108.6680	0.044	2	108.6680	0.002	2	108.3127	0.170	4	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	C(NB[6,6]CH)(H)3	N(B[6,6]B[6,6]C[3x6]N)(CH3)2(H)	C(NB[6,6]CH)(H)3	C(NB[6,6]CH)(H)3	107.9575	0.063	2	107.9575	0.004	2	108.3127	0.170	4	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	B[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	C(NB[6]CH)(H)3	N(B[6]B[6]O[6]2)(CH3)2(H)	C(NB[6]CH)(H)3	C(NB[6]CH)(H)3	110.4040	0.000	1	110.4040	0.000	1	110.4040	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CBHH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CBHH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.3010	0.000	1	110.3010	0.000	1	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC3)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC3)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.2780	0.000	1	110.2780	0.000	1	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.1297	0.798	58	110.1297	0.637	58	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.5503	0.974	263	110.5503	0.948	263	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[5]CH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.6776	1.051	5	110.6776	1.104	5	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[5]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	111.1679	0.381	11	111.1679	0.145	11	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[5a]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	111.3780	0.629	5	111.3780	0.395	5	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.8843	0.540	9	110.8843	0.292	9	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]2H)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[6a]2H)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	108.9770	0.000	1	108.9770	0.000	1	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CC[6a]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.8190	0.714	32	110.8190	0.510	32	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CH3)3(H)	C(NCCH)(H)3	C(NCCH)(H)3	111.4901	1.902	157	111.4901	3.616	157	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CHHN)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	112.0340	0.000	1	112.0340	0.000	1	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHP)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CHHP)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	109.5070	0.000	1	109.5070	0.000	1	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CSi[5]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	N(CSi[5]HH)(CH3)2(H)	C(NCCH)(H)3	C(NCCH)(H)3	110.2110	0.133	2	110.2110	0.018	2	110.8135	1.836	547	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(O)	C(NCCO)(H)3	C(NCCO)(H)3	N(CCHH)(CH3)2(O)	C(NCCO)(H)3	C(NCCO)(H)3	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[4x6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C(NC[4x6]CH)(H)3	C(NC[4x6]CH)(H)3	N(C[4x6]C[4x6]2C[6,6])(CH3)2(H)	C(NC[4x6]CH)(H)3	C(NC[4x6]CH)(H)3	110.0285	0.520	2	110.0285	0.270	2	110.0285	0.270	2	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[5]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[5]C[5]2H)(CH3)2(H)	C(NC[5]CH)(H)3	C(NC[5]CH)(H)3	N(C[5]C[5]2H)(CH3)2(H)	C(NC[5]CH)(H)3	C(NC[5]CH)(H)3	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6,6]C[3x6]2H)(CH3)2(H)	C(NC[6,6]CH)(H)3	C(NC[6,6]CH)(H)3	N(C[6,6]C[3x6]2H)(CH3)2(H)	C(NC[6,6]CH)(H)3	C(NC[6,6]CH)(H)3	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	111.0210	0.000	1	111.0210	0.000	1	110.3175	0.862	13	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	N(C[6]C[6,6]C[6]H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	111.1712	0.208	5	111.1712	0.043	5	110.3175	0.862	13	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	N(C[6]C[6]2H)(CH3)2(H)	C(NC[6]CH)(H)3	C(NC[6]CH)(H)3	109.6073	0.645	7	109.6073	0.416	7	110.3175	0.862	13	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	C(NGaCH)(H)3	N(GaH3)(CH3)2(H)	C(NGaCH)(H)3	C(NGaCH)(H)3	111.5065	0.015	2	111.5065	0.000	2	111.5065	0.000	2	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	N-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	C(NCHN)(H)3	N(NCCH)(CH3)2(H)	C(NCHN)(H)3	C(NCHN)(H)3	111.6145	0.278	2	111.6145	0.077	2	111.6145	0.077	2	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:1:1:1:	4:1:1:1:	Si-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	C(NSiCH)(H)3	N(SiC[5]NN)(CH3)2(H)	C(NSiCH)(H)3	C(NSiCH)(H)3	109.6140	0.000	1	109.6140	0.000	1	109.6140	0.000	1	110.7606	1.831	586	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-2:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(NCCH)(CN)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(CN)(H)2	C(NCCH)(H)3	110.4910	2.615	4	110.4910	6.836	4	110.4910	6.836	4	110.4910	6.836	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(H)3	111.2853	0.730	32	111.2853	0.533	32	111.2384	0.572	35	111.2226	0.559	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(COO)(H)2	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(COO)(H)2	C(NCCH)(H)3	111.5390	0.000	1	111.5390	0.000	1	111.2384	0.572	35	111.2226	0.559	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(NCCH)(CCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(NCCH)(CCH)(H)2	C(NCCH)(H)3	110.3380	1.061	2	110.3380	1.125	2	111.2384	0.572	35	111.2226	0.559	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(CH3)2(H)	C(NCCH)(NCC)(H)2	C(NCCH)(H)3	N(CHHN)(CH3)2(H)	C(NCCH)(NCC)(H)2	C(NCCH)(H)3	110.9470	0.711	2	110.9470	0.506	2	110.9470	0.506	2	111.2226	0.559	37	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	111.8960	1.714	2	111.8960	2.938	2	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(NCCH)(CCH)(H)2	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(NCCH)(CCH)(H)2	C(NCCH)(CCH)(H)2	111.5685	1.265	2	111.5685	1.600	2	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(NCCH)(CNO)(H)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(NCCH)(CNO)(H)2	C(NCCH)(COO)(H)2	111.6950	0.000	1	111.6950	0.000	1	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	112.7452	1.067	15	112.7452	1.138	15	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CHO)(H)2	C(NCCH)(CHO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CHO)(H)2	C(NCCH)(CHO)(H)2	112.8590	0.000	1	112.8590	0.000	1	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(COO)(H)2	112.9545	1.148	2	112.9545	1.317	2	112.5465	1.195	23	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:P-3:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	C(NCCH)(COO)(H)2	C(NCCH)(PCC)(H)2	112.3885	1.300	2	112.3885	1.691	2	112.3885	1.691	2	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	N(CCHH)(CHHP)2(H)	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(C[6]C[6]2C)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2C)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	C(NC[6]CH)(COO)(H)2	112.0190	0.000	1	112.0190	0.000	1	111.7570	0.137	2	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	C(NC[6]CH)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(COO)(H)2	C(NC[6]CH)(COO)(H)2	111.4950	0.000	1	111.4950	0.000	1	111.7570	0.137	2	112.5219	1.143	28	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	C(NCCH)(COO)(H)2	C(NCCH)(PO3)(H)2	111.5655	0.138	2	111.5655	0.019	2	111.5655	0.019	2	111.5655	0.019	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)2(CC3)(H)	C(NCCH)(CCC)(H)2	C(NCCH)(CH3)3	N(CCHH)2(CC3)(H)	C(NCCH)(CCC)(H)2	C(NCCH)(CH3)3	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:2:2:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-3:C-2:C-2:	N-4:H-1:H-1:H-1:	N(CC3)(CH3)2(H)	C(NCCH)(CCH)(CC)2	C(NCCH)(H)3	N(CC3)(CH3)2(H)	C(NCCH)(CCH)(CC)2	C(NCCH)(H)3	112.3285	0.077	2	112.3285	0.006	2	112.3285	0.006	2	112.3285	0.006	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:3:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6a]-3:N-4:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C(NCCH)(CH3)(H)2	N(CC[6a]C[6]H)(CCHH)2(H)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	C(NCCH)(CH3)(H)2	111.9875	0.715	2	111.9875	0.511	2	111.9875	0.511	2	111.9875	0.511	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C[3]-4:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]CH)(CC[6a]HH)(CC[3]HH)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	C(C[6a]C[6a]2)(NCCH)(H)2	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:D-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(D)	C(NCCD)(CH3)(H)2	C(NCCD)(H)3	N(CCHH)2(CH3)(D)	C(NCCD)(CH3)(H)2	C(NCCD)(H)3	114.0400	1.434	2	114.0400	2.056	2	114.0400	2.056	2	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:Ge-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(Ge)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(H)3	N(CCHH)2(CH3)(Ge)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(H)3	109.4875	0.226	2	109.4875	0.051	2	109.4875	0.051	2	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	B-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CBHH)(CH3)2(H)	C(BC[6a]2C)(NCCH)(H)2	C(NCCH)(H)3	N(CBHH)(CH3)2(H)	C(BC[6a]2C)(NCCH)(H)2	C(NCCH)(H)3	112.6030	0.045	2	112.6030	0.002	2	112.6030	0.002	2	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	111.5170	0.000	1	111.5170	0.000	1	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CCCH)(NCCH)(H)2	C(NCCH)(H)3	111.4605	1.926	35	111.4605	3.711	35	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	111.5742	1.963	126	111.5742	3.855	126	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CCHN)(NCCH)(H)2	C(NCCH)(H)3	110.8788	1.612	6	110.8788	2.599	6	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(H)3	111.6903	1.879	4	111.6903	3.532	4	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CC[5]CO)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CC[5]CO)(NCCH)(H)2	C(NCCH)(H)3	111.8465	3.286	4	111.8465	10.796	4	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	111.8422	1.228	18	111.8422	1.508	18	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CC[6a]C[6]H)(NCCH)(H)2	C(NCCH)(H)3	111.3971	3.875	14	111.3971	15.013	14	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	111.7590	2.741	2	111.7590	7.512	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CFHH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CFHH)(NCCH)(H)2	C(NCCH)(H)3	112.6915	4.721	4	112.6915	22.286	4	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	111.6868	2.074	203	111.6868	4.301	203	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(H)3	111.6051	1.474	58	111.6051	2.172	58	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CN[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CN[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	111.1680	3.045	2	111.1680	9.271	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CN[6]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CN[6]HH)(NCCH)(H)2	C(NCCH)(H)3	111.4580	3.978	2	111.4580	15.826	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(CN[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(CN[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	110.8555	1.873	2	110.8555	3.509	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	109.7300	0.000	1	109.7300	0.000	1	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	C(NCCH)(H)3	112.3165	0.408	2	112.3165	0.166	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	111.1606	1.150	23	111.1606	1.322	23	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(NCCH)(H)3	111.8810	0.475	2	111.8810	0.226	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(H)3	112.9085	1.554	2	112.9085	2.413	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	C(NCCH)(H)3	110.6975	1.200	2	110.6975	1.440	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	110.7466	1.626	43	110.7466	2.645	43	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[4]HH)(CCHH)(CH3)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	N(CC[4]HH)(CCHH)(CH3)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(H)3	112.4243	0.895	4	112.4243	0.801	4	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6]HH)(NCCH)(H)2	C(NCCH)(H)3	111.1555	1.368	2	111.1555	1.872	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(CC[6a]HH)(NCCH)(H)2	C(NCCH)(H)3	106.6760	0.000	1	106.6760	0.000	1	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	110.8585	2.750	2	110.8585	7.562	2	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6a]HH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(H)3	110.6160	0.443	4	110.6160	0.196	4	111.5235	3.918	569	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	C(NCCH)(H)3	112.1988	1.220	4	112.1988	1.489	4	112.1988	1.489	4	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(H)3	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(H)3	111.4857	1.315	18	111.4857	1.730	18	111.4738	2.168	22	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[5]HH)(CH3)2(H)	C(C[5]C[5]2H)(NCCH)(H)2	C(NCCH)(H)3	111.4205	2.316	4	111.4205	5.366	4	111.4738	2.168	22	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C(NCCH)(H)3	109.7090	0.000	1	109.7090	0.000	1	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(NCCH)(H)3	109.3055	0.395	2	109.3055	0.156	2	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(H)3	113.3780	0.000	1	113.3780	0.000	1	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C(NCCH)(H)3	112.5565	2.552	2	112.5565	6.512	2	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(NCCH)(H)3	111.3466	1.756	10	111.3466	3.084	10	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CH3)2(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(H)3	110.7705	3.064	2	110.7705	9.387	2	111.2121	3.660	18	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(NCCH)(CC3)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(CC3)(H)2	C(NCCH)(H)3	112.2262	0.383	4	112.2262	0.147	4	111.8575	12.136	11	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	N(CCHH)(CH3)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	111.2060	5.951	4	111.2060	35.419	4	111.8575	12.136	11	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	113.4400	1.809	2	113.4400	3.272	2	111.8575	12.136	11	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	N(CC[6]HH)(CCHH)(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(H)3	109.8240	0.000	1	109.8240	0.000	1	111.8575	12.136	11	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(H)3	108.9720	0.000	1	108.9720	0.000	1	111.1745	2.114	6	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(H)3	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(H)3	111.8040	0.000	1	111.8040	0.000	1	111.1745	2.114	6	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHP)(CH3)2(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(H)3	N(CHHP)(CH3)2(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(H)3	111.5475	2.015	2	111.5475	4.058	2	111.1745	2.114	6	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(H)3	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(H)3	111.5880	0.803	2	111.5880	0.645	2	111.1745	2.114	6	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	C(NCCH)(H)3	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	C(NCCH)(H)3	109.5337	0.649	4	109.5337	0.421	4	109.5337	0.421	4	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(O)	C(CHHN)(NCCO)(H)2	C(NCCO)(H)3	N(CCHH)(CH3)2(O)	C(CHHN)(NCCO)(H)2	C(NCCO)(H)3	109.4455	2.565	2	109.4455	6.578	2	109.4455	6.578	2	111.5057	3.951	642	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CC)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CC)(H)2	113.6070	0.000	1	113.6070	0.000	1	111.7330	1.469	6	111.7330	1.469	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CC)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CC)(H)2	110.2340	0.000	1	110.2340	0.000	1	111.7330	1.469	6	111.7330	1.469	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CN)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CN)(H)2	111.7595	0.428	2	111.7595	0.183	2	111.7330	1.469	6	111.7330	1.469	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CC)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CC)(H)2	111.5190	1.144	2	111.5190	1.309	2	111.7330	1.469	6	111.7330	1.469	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	111.8790	2.117	2	111.8790	4.482	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CCC)(H)2	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CCC)(H)2	110.2870	0.000	1	110.2870	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CC3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	108.4630	0.000	1	108.4630	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CCHH)2(CH3)(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	111.0825	0.979	2	111.0825	0.959	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	112.3895	1.199	2	112.3895	1.437	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CNO)(H)2	114.9580	0.000	1	114.9580	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(COO)(H)2	111.1835	0.740	2	111.1835	0.548	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	112.7420	1.426	2	112.7420	2.032	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CNO)(H)2	112.7890	0.885	2	112.7890	0.784	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	111.2379	1.614	41	111.2379	2.606	41	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CCH)(H)2	111.5970	0.184	2	111.5970	0.034	2	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	C(NCCH)(COO)(H)2	109.4830	0.000	1	109.4830	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(COO)(H)2	112.6300	0.000	1	112.6300	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CCuCH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CCuCH)(NCCH)(H)2	C(NCCH)(CCH)(H)2	112.3950	0.000	1	112.3950	0.000	1	111.4147	2.576	61	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:N-3:H-1:H-1:	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(NCH)(H)2	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(NCH)(H)2	110.8918	1.520	4	110.8918	2.311	4	110.8918	2.311	4	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-3:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PCC)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PCC)(H)2	115.2071	1.871	20	115.2071	3.500	20	115.2071	3.500	20	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CNO)(H)2	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CNO)(H)2	111.4425	0.811	6	111.4425	0.658	6	111.6966	1.000	7	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CHH)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CHH)(H)2	113.2210	0.000	1	113.2210	0.000	1	111.6966	1.000	7	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	N(CCHH)(CHHP)(CH3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	111.7600	0.000	1	111.7600	0.000	1	112.2825	0.124	4	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	N(CCHH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	112.4910	0.045	2	112.4910	0.002	2	112.2825	0.124	4	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	N(CC[6a]HH)(CCHH)(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(COO)(H)2	112.3880	0.000	1	112.3880	0.000	1	112.2825	0.124	4	112.2397	4.856	96	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:D-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(D)	C(CCHH)(NCCD)(H)2	C(CCHH)(NCCD)(H)2	N(CCHH)3(D)	C(CCHH)(NCCD)(H)2	C(CCHH)(NCCD)(H)2	112.8717	2.835	3	112.8717	8.035	3	112.8717	8.035	3	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:D-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CH3)(D)	C(NCCD)(CH3)(H)2	C(NCCD)(CH3)(H)2	N(CCHH)2(CH3)(D)	C(NCCD)(CH3)(H)2	C(NCCD)(CH3)(H)2	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:Ge-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CH3)(Ge)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(CHHN)(H)2	N(CCHH)2(CH3)(Ge)	C(NGeCC)(CHHN)(H)2	C(NGeCC)(CHHN)(H)2	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	109.8540	0.000	1	109.8540	0.000	1	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CCCS)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	109.0175	1.334	2	109.0175	1.780	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	110.6409	2.273	8	110.6409	5.166	8	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	111.7498	1.115	5	111.7498	1.243	5	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CCHN)(NCCH)(H)2	C(CCHN)(NCCH)(H)2	111.7440	0.000	1	111.7440	0.000	1	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CC[6a]CC)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	116.3525	3.604	2	116.3525	12.990	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CH3)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.9310	2.311	18	112.9310	5.342	18	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)2(CHHN)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	113.9075	0.076	2	113.9075	0.006	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	113.1445	1.677	4	113.1445	2.813	4	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	113.9860	0.000	1	113.9860	0.000	1	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	115.2994	0.859	10	115.2994	0.739	10	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	114.9213	0.483	4	114.9213	0.233	4	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CCCO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	C(CCCO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.4700	0.981	2	112.4700	0.963	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	112.8597	1.692	47	112.8597	2.862	47	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.7827	2.246	23	112.7827	5.044	23	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	110.5707	1.844	24	110.5707	3.399	24	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	112.9495	1.539	4	112.9495	2.368	4	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)3(H)	C(CC[5a]HH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	112.5905	1.381	6	112.5905	1.908	6	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CC[6a]HH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)3(H)	C(CC[6a]HH)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	113.3845	1.896	2	113.3845	3.594	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	110.9796	1.460	149	110.9796	2.130	149	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.3317	2.711	10	112.3317	7.348	10	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	111.6930	2.100	5	111.6930	4.411	5	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.4829	1.806	171	112.4829	3.260	171	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	110.5780	0.839	5	110.5780	0.704	5	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)3(H)	C(CN[6]HH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.3830	0.000	1	112.3830	0.000	1	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.0075	1.368	2	112.0075	1.872	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CC[6]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	111.7195	0.326	2	111.7195	0.106	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	113.1600	2.154	2	113.1600	4.639	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHN)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	112.8945	1.429	4	112.8945	2.042	4	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.7475	1.171	11	112.7475	1.371	11	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CHHS)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CHHS)(NCCH)(H)2	C(CHHS)(NCCH)(H)2	110.2545	0.977	2	110.2545	0.954	2	112.0582	3.912	530	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CF3)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CF3)(H)2	111.6570	3.472	2	111.6570	12.054	2	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	113.2121	4.062	14	113.2121	16.502	14	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CF3)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CF3)(H)2	109.2455	3.043	2	109.2455	9.258	2	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.9563	2.133	34	111.9563	4.550	34	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CH3)(H)2	112.8899	1.592	10	112.8899	2.534	10	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(CH3)(H)2	113.2670	1.667	2	113.2670	2.780	2	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CN[5]HH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CN[5]HH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.1745	2.114	2	111.1745	4.467	2	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(CN[5a]HH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(CN[5a]HH)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.5525	0.590	2	111.5525	0.349	2	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]2H)(CCHH)2(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CC[6a]2H)(CCHH)2(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CH3)(H)2	113.8170	0.000	1	113.8170	0.000	1	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CC3)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CC3)(H)2	113.5690	0.000	1	113.5690	0.000	1	112.3080	6.731	70	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)(CH3)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	115.0080	0.000	1	115.0080	0.000	1	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(PO3)(H)2	112.3000	1.184	2	112.3000	1.401	2	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	113.3095	1.706	2	113.3095	2.911	2	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(PO3)(H)2	111.4292	1.104	5	111.4292	1.220	5	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(PO3)(H)2	111.1545	3.381	4	111.1545	11.428	4	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)2(CHHP)(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(PO3)(H)2	112.8450	0.000	1	112.8450	0.000	1	112.0557	4.378	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[4]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CC[4]HH)(CCHH)(CH3)(H)	C(C[4]C[4,6a]C[4]H)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	111.7763	1.208	4	111.7763	1.459	4	111.7763	1.459	4	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[5]HH)(CCHH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CC[5]HH)(CCHH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(CH3)(H)2	112.5715	2.498	2	112.5715	6.241	2	112.5715	6.241	2	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C(CC[6a]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(NCCH)(H)2	C(CC[6a]HH)(NCCH)(H)2	117.2950	0.000	1	117.2950	0.000	1	114.9650	5.013	3	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(CC[6]HH)(NCCH)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]2H)(NCCH)(H)2	C(CC[6]HH)(NCCH)(H)2	113.8000	1.372	2	113.8000	1.882	2	114.9650	5.013	3	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CC[6]HH)(CCHH)(CH3)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.6940	0.000	1	111.6940	0.000	1	111.6940	0.000	1	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCCH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCCH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	110.3610	0.000	1	110.3610	0.000	1	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)2(CH3)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	107.6270	0.000	1	107.6270	0.000	1	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)2(CHHP)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	113.1880	2.048	4	113.1880	4.194	4	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)3(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	112.2285	3.024	850	112.2285	9.147	850	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[5]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CC[5]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	110.5670	0.000	1	110.5670	0.000	1	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]C[6]H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CC[6a]C[6]H)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	111.7850	0.000	1	111.7850	0.000	1	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	N(CC[6a]HH)(CCHH)2(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)(H)2	113.0757	0.702	7	113.0757	0.493	7	112.2298	9.048	865	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCCH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	113.1860	0.000	1	113.1860	0.000	1	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	N(CCHH)(CHHP)2(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	112.5115	0.989	2	112.5115	0.979	2	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CC[6a]HH)(CHHP)2(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(PHOO)(H)2	N(CC[6a]HH)(CHHP)2(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(PHOO)(H)2	112.5290	0.000	1	112.5290	0.000	1	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(PHOO)(H)2	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(PHOO)(H)2	112.3380	0.000	1	112.3380	0.000	1	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	N(CHHP)2(CH3)(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	115.6300	0.000	1	115.6300	0.000	1	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:P-4:H-1:H-1:	N(CHHP)3(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	N(CHHP)3(H)	C(NCCH)(PO3)(H)2	C(NCCH)(PO3)(H)2	112.5188	1.128	9	112.5188	1.272	9	112.7583	1.461	15	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	C(CCHH)(NCCH)(H)2	109.3080	1.244	4	109.3080	1.548	4	110.9898	1.906	16	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	112.4232	0.617	4	112.4232	0.381	4	110.9898	1.906	16	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	C(CHHN)(NCCH)(H)2	111.7090	0.234	4	111.7090	0.055	4	110.9898	1.906	16	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	N(CCHH)2(CHHP)(H)	C(PC[6a]OO)(NCCH)(H)2	C(CHHO)(NCCH)(H)2	110.5187	0.221	4	110.5187	0.049	4	110.9898	1.906	16	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)2(CHHP)(H)	C(PC[6a]NiC)(NCCH)(H)2	C(NCCH)(CH3)(H)2	N(CCHH)2(CHHP)(H)	C(PC[6a]NiC)(NCCH)(H)2	C(NCCH)(CH3)(H)2	111.8978	2.157	8	111.8978	4.651	8	111.8978	4.651	8	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	C(PC[6a]2Fe)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	C(PC[6a]2Fe)(NCCH)(H)2	C(PC[6a]2Fe)(NCCH)(H)2	112.8585	0.084	2	112.8585	0.007	2	112.8383	0.235	6	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	C(PC[6a]Fe2)(NCCH)(H)2	N(CCHH)(CHHP)2(H)	C(PC[6a]Fe2)(NCCH)(H)2	C(PC[6a]Fe2)(NCCH)(H)2	112.6715	0.312	2	112.6715	0.097	2	112.8383	0.235	6	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	P-4:N-4:H-1:H-1:	P-4:N-4:H-1:H-1:	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	C(PFeCC)(NCCH)(H)2	N(CHHP)2(CH3)(H)	C(PFeCC)(NCCH)(H)2	C(PFeCC)(NCCH)(H)2	112.9850	0.986	2	112.9850	0.972	2	112.8383	0.235	6	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-1:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(O)	C(CHHO)(NCCO)(H)2	C(CHHO)(NCCO)(H)2	N(CCHH)3(O)	C(CHHO)(NCCO)(H)2	C(CHHO)(NCCO)(H)2	110.4430	0.032	3	110.4430	0.001	3	110.4430	0.001	3	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C(NC[6]CH)(CH3)(H)2	C(NC[6]CH)(CH3)(H)2	N(C[6]B[5x3,5x5,21x6]C[6]H)(CCHH)2(H)	C(NC[6]CH)(CH3)(H)2	C(NC[6]CH)(CH3)(H)2	110.3280	0.000	1	110.3280	0.000	1	109.0835	3.098	2	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHO)(H)2	N(C[6]C[6]2H)(CCHH)2(H)	C(NC[6]CH)(CHHN)(H)2	C(NC[6]CH)(CHHO)(H)2	107.8390	0.000	1	107.8390	0.000	1	109.0835	3.098	2	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:1:1:	In-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(InCl2N)(CCHH)2(H)	C(NInCH)(CH3)(H)2	C(NInCH)(CH3)(H)2	N(InCl2N)(CCHH)2(H)	C(NInCH)(CH3)(H)2	C(NInCH)(CH3)(H)2	113.2645	0.623	2	113.2645	0.388	2	113.2645	0.388	2	112.1618	6.895	1547	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)2(NCCH)(H)	N(CC[6a]CH)(CCCH)(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(CCHH)2(NCCH)(H)	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(CCHH)(NCCH)(H)2	C(NCCH)(CH3)2(H)	112.6593	1.180	6	112.6593	1.393	6	112.1366	1.035	28	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(CClHH)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(CClHH)(NCCH)(H)2	C(NCCH)(CH3)2(H)	112.6420	0.752	2	112.6420	0.566	2	112.1366	1.035	28	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(CHHN)(NCCH)(H)2	C(NCCH)(CH3)2(H)	111.9068	1.110	14	111.9068	1.233	14	112.1366	1.035	28	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(CHHO)(NCCH)(H)2	C(NCCH)(CH3)2(H)	112.1375	0.296	2	112.1375	0.088	2	112.1366	1.035	28	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(CHHS)(NCCH)(H)2	C(NCCH)(CH3)2(H)	111.9040	0.633	4	111.9040	0.400	4	112.1366	1.035	28	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CC[5]HH)(CCCH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CC[5]HH)(CCCH)2(H)	C(C[5]C[5]2Fe)(NCCH)(H)2	C(NCCH)(CH3)2(H)	113.2235	0.387	2	113.2235	0.150	2	113.2235	0.150	2	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	Ga-4:N-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CGaHH)(CCCH)2(H)	C(GaClCC)(NCCH)(H)2	C(NCCH)(CH3)2(H)	N(CGaHH)(CCCH)2(H)	C(GaClCC)(NCCH)(H)2	C(NCCH)(CH3)2(H)	114.0810	2.452	2	114.0810	6.014	2	114.0810	6.014	2	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)(H)2	C(NCCH)(CH3)2(H)	113.0350	1.825	14	113.0350	3.329	14	113.0350	3.329	14	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(CH3)2(H)	N(CCCH)2(CHHP)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(CH3)2(H)	111.5485	0.616	2	111.5485	0.379	2	111.5485	0.379	2	112.5034	1.945	49	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:B-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	C(NBCH)(CH3)3	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	C(NBCH)(CH3)3	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	113.4597	1.814	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:N-4:	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	C(CHHO)3(NCCH)	N(CCHH)2(CC3)(H)	C(CHHO)(NCCH)(H)2	C(CHHO)3(NCCH)	114.3030	1.970	2	114.3030	3.881	2	114.3030	3.881	2	113.4597	1.814	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CH3)3	N(CCHH)2(CC3)(H)	C(CCHO)(NCCH)(H)2	C(NCCH)(CH3)3	114.5060	0.000	1	114.5060	0.000	1	114.5060	0.000	1	113.4597	1.814	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N-4:C-4:C-4:C-4:	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(CH3)3	N(CHHP)2(CC3)(H)	C(NCCH)(PHOO)(H)2	C(NCCH)(CH3)3	112.3770	0.055	2	112.3770	0.003	2	112.3770	0.003	2	113.4597	1.814	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:3:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-3:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(CClO)(H)	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	C(CC[6a]HH)(NCCH)(CClO)(H)	C(NCCH)(H)3	113.0865	2.470	2	113.0865	6.101	2	113.0865	6.101	2	113.0865	6.101	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:P-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHP)(H)	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	N(CC[6a]HH)2(CCHP)(H)	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(NCCH)(H)2	112.9915	2.420	2	112.9915	5.858	2	112.9915	5.858	2	112.9915	5.858	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(CHHO)(NCCH)(H)	C(NCCH)(H)3	114.1679	1.733	12	114.1679	3.003	12	114.1679	3.003	12	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(NCCH)(H)3	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(NCCH)(H)3	111.5330	0.000	1	111.5330	0.000	1	113.5186	4.793	103	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	C(CC[6a]HO)(NCCH)(CH3)(H)	C(NCCH)(H)3	113.6058	2.208	80	113.6058	4.873	80	113.5186	4.793	103	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(NCCH)(H)3	N(CCCH)(CH3)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(NCCH)(H)3	113.2920	2.162	22	113.2920	4.675	22	113.5186	4.793	103	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(NCCH)(H)3	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(CCHH)(NCCH)(H)	C(NCCH)(H)3	113.3208	2.300	6	113.3208	5.292	6	113.3208	5.292	6	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(NCCH)(H)3	N(CC[5]CH)(CH3)2(H)	C(C[5]C[5]2Fe)(NCCH)(CH3)(H)	C(NCCH)(H)3	113.7398	1.136	4	113.7398	1.291	4	113.7398	1.291	4	113.5785	4.494	125	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(NCCH)(COO)(H)2	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(NCCH)(COO)(H)2	111.3525	2.125	2	111.3525	4.515	2	110.1177	6.832	3	110.1177	6.832	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:C-3:H-1:H-1:	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	C(NCCH)(CCH)(H)2	N(CC[6a]HH)(CCCH)(CCHH)(H)	C(CN[5]HH)(NCCH)(CH3)(H)	C(NCCH)(CCH)(H)2	107.6480	0.000	1	107.6480	0.000	1	110.1177	6.832	3	110.1177	6.832	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)(CH3)(H)	C(CHHN)(NCCH)(CH3)(H)	C(CHHN)(NCCH)(H)2	115.7050	0.000	1	115.7050	0.000	1	113.3080	4.402	3	112.8520	1.916	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(CHHN)(NCCH)(H)2	N(CCCH)(CCHH)2(H)	C(CCHH)(NCCH)(CH3)(H)	C(CHHN)(NCCH)(H)2	112.1095	0.431	2	112.1095	0.185	2	113.3080	4.402	3	112.8520	1.916	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(NCCH)(CH3)(H)2	N(CCCH)(CCHH)2(H)	C(CN[6]HH)(NCCH)(CH3)(H)	C(NCCH)(CH3)(H)2	112.3700	0.197	2	112.3700	0.039	2	112.3700	0.039	2	112.8520	1.916	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:1:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:P-4:H-1:H-1:	N(CCCH)(CHHP)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(PO3)(H)2	N(CCCH)(CHHP)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(PO3)(H)2	112.6500	1.218	2	112.6500	1.483	2	112.6500	1.483	2	112.8520	1.916	7	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	113.8580	0.000	1	113.8580	0.000	1	112.5204	4.730	5	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	112.3400	0.000	1	112.3400	0.000	1	112.5204	4.730	5	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	C(NBCH)(CH3)2(H)	112.1347	2.885	3	112.1347	8.326	3	112.5204	4.730	5	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	C-4:C-4:N-4:H-1:	N(CCCH)3(H)	C(CHHO)2(NCCH)(H)	C(CHHO)2(NCCH)(H)	N(CCCH)3(H)	C(CHHO)2(NCCH)(H)	C(CHHO)2(NCCH)(H)	115.5617	0.475	3	115.5617	0.226	3	115.5617	0.226	3	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	C-4:C-4:N-4:H-1:	N-4:C-4:C-4:H-1:	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	C(NCCH)(CH3)2(H)	N(CC[6a]HH)(CCCH)2(H)	C(CCHH)(CCHN)(NCCH)(H)	C(NCCH)(CH3)2(H)	115.6890	0.000	1	115.6890	0.000	1	115.6890	0.000	1	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	N(CCCH)2(CCHH)(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	113.2991	4.046	21	113.2991	16.372	21	113.4145	14.367	24	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(CCCH)2(CHHP)(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	N(CCCH)2(CHHP)(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	113.5070	0.000	1	113.5070	0.000	1	113.4145	14.367	24	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(CC[5]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	N(CC[5]HH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	114.6230	0.000	1	114.6230	0.000	1	113.4145	14.367	24	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(CGaHH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	N(CGaHH)(CCCH)2(H)	C(NCCH)(CH3)2(H)	C(NCCH)(CH3)2(H)	114.5370	0.000	1	114.5370	0.000	1	113.4145	14.367	24	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[4]-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C(NC[4]CH)(CH3)2(H)	C(NC[4]CH)(CH3)2(H)	N(C[4]C[4,6]C[4]H)(CCCH)2(H)	C(NC[4]CH)(CH3)2(H)	C(NC[4]CH)(CH3)2(H)	113.6380	0.000	1	113.6380	0.000	1	113.6380	0.000	1	113.5460	11.281	34	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:4:	4:3:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(NCCH)(COO)(H)2	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(NCCH)(COO)(H)2	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	4:4:4:4:	4:4:1:1:	C-4:C-4:C-4:H-1:	C-4:N-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(CHHN)(NCCH)(H)2	N(CCHH)2(CC3)(H)	C(CCHH)(NCCH)(CH3)2	C(CHHN)(NCCH)(H)2	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	114.8050	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:1:	5:4:1:1:	4:1:1:1:	C-4:C-4:C-4:H-1:	Si[5]-5:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CSi[5]HH)(CH3)2(H)	C(Si[5]O[5]2CF)(NCCH)(H)2	C(NCCH)(H)3	N(CSi[5]HH)(CH3)2(H)	C(Si[5]O[5]2CF)(NCCH)(H)2	C(NCCH)(H)3	111.7330	0.516	4	111.7330	0.266	4	111.7330	0.266	4	111.7330	0.266	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(OSn)	C(C[6a]C[6a]2)(NCCO)(H)2	C(NCCO)(H)3	N(CC[6a]HH)(CH3)2(OSn)	C(C[6a]C[6a]2)(NCCO)(H)2	C(NCCO)(H)3	109.5680	2.578	2	109.5680	6.647	2	109.5680	6.647	2	109.5680	6.647	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	C(NBCO)(H)3	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	C(NBCO)(H)3	110.6005	0.916	2	110.6005	0.839	2	110.6005	0.839	2	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NH)	C(NCCN)(H)3	C(NCCN)(H)3	N(CCHH)(CH3)2(NH)	C(NCCN)(H)3	C(NCCN)(H)3	106.5630	0.000	1	106.5630	0.000	1	108.9016	3.968	16	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NS)	C(NCCN)(H)3	C(NCCN)(H)3	N(CCHH)(CH3)2(NS)	C(NCCN)(H)3	C(NCCN)(H)3	110.0740	0.000	1	110.0740	0.000	1	108.9016	3.968	16	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NTi)	C(NCCN)(H)3	C(NCCN)(H)3	N(CCHH)(CH3)2(NTi)	C(NCCN)(H)3	C(NCCN)(H)3	106.1390	4.432	2	106.1390	19.644	2	108.9016	3.968	16	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(NTa)	C(NCCN)(H)3	C(NCCN)(H)3	N(CH3)3(NTa)	C(NCCN)(H)3	C(NCCN)(H)3	109.5580	0.951	6	109.5580	0.905	6	108.9016	3.968	16	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(NTi)	C(NCCN)(H)3	C(NCCN)(H)3	N(CH3)3(NTi)	C(NCCN)(H)3	C(NCCN)(H)3	109.3603	1.371	6	109.3603	1.880	6	108.9016	3.968	16	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(OH)	C(NCCO)(H)3	C(NCCO)(H)3	N(CCHH)(CH3)2(OH)	C(NCCO)(H)3	C(NCCO)(H)3	110.5985	0.054	2	110.5985	0.003	2	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(OSn)	C(NCCO)(H)3	C(NCCO)(H)3	N(CC[6a]HH)(CH3)2(OSn)	C(NCCO)(H)3	C(NCCO)(H)3	110.8330	0.000	1	110.8330	0.000	1	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(OCu)	C(NCCO)(H)3	C(NCCO)(H)3	N(CH3)3(OCu)	C(NCCO)(H)3	C(NCCO)(H)3	109.9937	1.794	3	109.9937	3.218	3	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(OFe)	C(NCCO)(H)3	C(NCCO)(H)3	N(CH3)3(OFe)	C(NCCO)(H)3	C(NCCO)(H)3	110.4810	0.609	3	110.4810	0.371	3	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(OH)	C(NCCO)(H)3	C(NCCO)(H)3	N(CH3)3(OH)	C(NCCO)(H)3	C(NCCO)(H)3	111.5413	0.572	6	111.5413	0.328	6	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(OI)	C(NCCO)(H)3	C(NCCO)(H)3	N(CH3)3(OI)	C(NCCO)(H)3	C(NCCO)(H)3	110.2620	0.393	2	110.2620	0.155	2	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(OP)	C(NCCO)(H)3	C(NCCO)(H)3	N(CH3)3(OP)	C(NCCO)(H)3	C(NCCO)(H)3	110.7220	1.397	3	110.7220	1.953	3	110.7696	1.005	20	109.9742	3.008	38	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(H)3	N(CCHH)(CH3)2(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(H)3	108.1350	1.331	2	108.1350	1.771	2	108.3180	0.649	4	109.6033	2.462	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(H)3	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(H)3	108.5010	0.204	2	108.5010	0.041	2	108.3180	0.649	4	109.6033	2.462	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:O-2:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(OH)	C(NCCO)(COO)(H)2	C(NCCO)(H)3	N(CCHH)(CH3)2(OH)	C(NCCO)(COO)(H)2	C(NCCO)(H)3	110.8885	0.831	4	110.8885	0.691	4	110.8885	0.691	4	109.6033	2.462	8	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:N-2:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(CCH)(H)2	N(CCHH)2(CH3)(NS)	C(NCCN)(CCH)(H)2	C(NCCN)(CCH)(H)2	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NH)	C(CClHH)(NCCN)(H)2	C(NCCN)(H)3	N(CCHH)(CH3)2(NH)	C(CClHH)(NCCN)(H)2	C(NCCN)(H)3	110.4040	3.536	2	110.4040	12.500	2	110.4040	12.500	2	109.7945	82.550	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:N-2:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)2(NTi)	C(NCCN)(CH3)(H)2	C(NCCN)(H)3	N(CCHH)(CH3)2(NTi)	C(NCCN)(CH3)(H)2	C(NCCN)(H)3	109.4898	11.535	4	109.4898	133.045	4	109.4898	133.045	4	109.7945	82.550	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CC)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)3(CC)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	109.3697	2.333	3	109.3697	5.443	3	109.5160	3.870	6	110.2287	5.118	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-2:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CC)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)3(CC)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.6623	2.041	3	109.6623	4.167	3	109.5160	3.870	6	110.2287	5.118	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:2:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:O-2:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(OH)	C(NCCO)(CH3)(H)2	C(NCCO)(CH3)(H)2	N(CCHH)3(OH)	C(NCCO)(CH3)(H)2	C(NCCO)(CH3)(H)2	111.6540	2.495	3	111.6540	6.227	3	111.6540	6.227	3	110.2287	5.118	9	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CH3)2(COO)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	109.6635	2.184	2	109.6635	4.771	2	109.6635	4.771	2	109.6635	4.771	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(Cl)(H)2	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)(CHH)	C(NC3)(Cl)(H)2	C(NC3)(H)3	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)2(COO)	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a]HH)(CH3)2(COO)	C(NC3)(H)3	C(NC3)(H)3	109.4120	0.000	1	109.4120	0.000	1	108.6234	2.343	13	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(CCH)	C(NC3)(H)3	C(NC3)(H)3	N(CH3)3(CCH)	C(NC3)(H)3	C(NC3)(H)3	108.5577	1.580	12	108.5577	2.495	12	108.6234	2.343	13	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CH3)2(NHH)	C(NCCN)(Cl)(H)2	C(NCCN)(H)3	N(CClHH)(CH3)2(NHH)	C(NCCN)(Cl)(H)2	C(NCCN)(H)3	110.9396	1.827	12	110.9396	3.336	12	110.9396	3.336	12	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CH3)2(NHH)	C(NCCN)(H)3	C(NCCN)(H)3	N(CClHH)(CH3)2(NHH)	C(NCCN)(H)3	C(NCCN)(H)3	110.1322	0.832	6	110.1322	0.693	6	109.7918	1.529	18	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:N-3:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)3(NCH)	C(NCCN)(H)3	C(NCCN)(H)3	N(CH3)3(NCH)	C(NCCN)(H)3	C(NCCN)(H)3	109.6216	1.398	12	109.6216	1.954	12	109.7918	1.529	18	109.6709	3.232	44	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(CCH)	C(NC3)(CCH)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)(CCH)	C(NC3)(CCH)(H)2	C(NC3)(H)3	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:Cl-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(Cl)(H)2	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	110.7593	0.379	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	110.0840	0.000	1	110.0840	0.000	1	110.4940	0.336	2	110.7593	0.379	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)(CHH)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	110.9040	0.000	1	110.9040	0.000	1	110.4940	0.336	2	110.7593	0.379	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	105.9960	0.000	1	105.9960	0.000	1	108.4953	4.822	3	108.4953	4.822	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	109.7450	0.523	2	109.7450	0.274	2	108.4953	4.822	3	108.4953	4.822	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:B-3:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(CCHH)3(BCO)	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	N(CCHH)3(BCO)	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	109.5617	1.938	3	109.5617	3.757	3	109.5617	3.757	3	109.2133	16.760	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)3(CCH)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	108.8540	2.662	10	108.8540	7.087	10	109.1872	17.846	40	109.2133	16.760	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)3(CCH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.9649	2.514	9	109.9649	6.320	9	109.1872	17.846	40	109.2133	16.760	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CCN)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)3(CCN)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4793	2.202	3	109.4793	4.847	3	109.1872	17.846	40	109.2133	16.760	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:3:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-3:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CHH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)3(CHH)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	108.9347	5.760	18	108.9347	33.177	18	109.1872	17.846	40	109.2133	16.760	43	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(C[6]C[6]N[6])(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(C[6]C[6]N[6])(NC3)(H)2	111.8950	0.000	1	111.8950	0.000	1	111.8950	0.000	1	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCCH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCCH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	109.8170	0.000	1	109.8170	0.000	1	108.3733	4.839	30	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)2	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	108.1643	0.485	3	108.1643	0.236	3	108.3733	4.839	30	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	107.4350	1.788	14	107.4350	3.196	14	108.3733	4.839	30	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)3(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)3(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	108.4110	0.054	2	108.4110	0.003	2	108.3733	4.839	30	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)4	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)4	C(C[6a]C[6a]2)(NC3)(H)2	C(C[6a]C[6a]2)(NC3)(H)2	109.5977	2.764	10	109.5977	7.640	10	108.3733	4.839	30	108.4869	5.078	31	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(C[6a]C[6a]2)(NBCC)(H)2	C(NBCC)(H)3	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(C[6a]C[6a]2)(NBCC)(H)2	C(NBCC)(H)3	107.0235	0.804	2	107.0235	0.646	2	107.0235	0.646	2	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)3	C(C[5]C[5]2)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CH3)3	C(C[5]C[5]2)(NC3)(H)2	C(NC3)(H)3	110.4333	2.005	6	110.4333	4.021	6	110.4333	4.021	6	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CCHH)2(CH3)	C(C[5a]C[5a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	C(C[5a]C[5a]2)(NC3)(H)2	C(NC3)(H)3	109.6750	0.000	1	109.6750	0.000	1	110.1028	6.884	4	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)3	C(C[5a]C[5a]N[5a])(NC3)(H)2	C(NC3)(H)3	N(CC[5a]HH)(CH3)3	C(C[5a]C[5a]N[5a])(NC3)(H)2	C(NC3)(H)3	110.2453	3.194	3	110.2453	10.205	3	110.1028	6.884	4	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCCH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6]HH)(CCCH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(NC3)(H)3	110.2405	0.715	2	110.2405	0.511	2	110.2086	1.431	11	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(NC3)(H)3	110.5895	0.650	8	110.5895	0.423	8	110.2086	1.431	11	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6]C[6]N[6])(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6]C[6]N[6])(NC3)(H)2	C(NC3)(H)3	107.0980	0.000	1	107.0980	0.000	1	110.2086	1.431	11	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	107.1050	0.000	1	107.1050	0.000	1	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	109.6558	1.513	45	109.6558	2.288	45	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)2(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	106.9570	0.474	2	106.9570	0.224	2	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(NC3)(H)3	109.5120	0.000	1	109.5120	0.000	1	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]2)(NC3)(H)2	C(NC3)(H)3	110.3007	2.485	6	110.3007	6.176	6	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(NC3)(H)2	C(NC3)(H)3	110.7320	6.103	6	110.7320	37.252	6	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	109.8402	2.013	167	109.8402	4.050	167	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CCCH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	107.8680	0.783	2	107.8680	0.614	2	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)2(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	110.0770	1.468	56	110.0770	2.154	56	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)3(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)3(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(NC3)(H)3	110.5205	0.015	2	110.5205	0.000	2	109.8460	4.018	288	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C-4:In-4:C-4:C-4:	N[5a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CN[5a]HH)(InC3)(CH3)2	C(N[5a]C[5a,6a]2)(NInCC)(H)2	C(NInCC)(H)3	N(CN[5a]HH)(InC3)(CH3)2	C(N[5a]C[5a,6a]2)(NInCC)(H)2	C(NInCC)(H)3	110.7655	0.141	2	110.7655	0.020	2	110.7655	0.020	2	109.8611	3.943	313	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[5a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5a]HH)(CCHH)2(CH3)	C(C[5a]C[5a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	C(C[5a]C[5a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	109.0020	0.380	2	109.0020	0.145	2	109.0020	0.145	2	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	106.6185	1.990	4	106.6185	3.961	4	108.9817	7.853	17	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)3	C(C[6]C[6]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6]HH)(CCHH)3	C(C[6]C[6]2)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4737	2.627	12	109.4737	6.903	12	108.9817	7.853	17	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6]C[6]N[6])(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6]C[6]N[6])(NC3)(H)2	C(CHHN)(NC3)(H)2	112.5310	0.000	1	112.5310	0.000	1	108.9817	7.853	17	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CBHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CBHH)(NC3)(H)2	109.3345	0.581	2	109.3345	0.337	2	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	108.9206	3.226	14	108.9206	10.404	14	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHN)(NC3)(H)2	109.5420	0.000	1	109.5420	0.000	1	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CC[6]HH)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CC[6]HH)(NC3)(H)2	107.1540	0.000	1	107.1540	0.000	1	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	109.3323	0.236	3	109.3323	0.056	3	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)(CH3)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CHHN)(NC3)(H)2	106.3375	5.088	2	106.3375	25.884	2	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	110.3725	1.483	4	110.3725	2.198	4	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CCHH)(NC3)(H)2	109.4196	2.095	25	109.4196	4.387	25	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	109.2410	2.214	88	109.2410	4.901	88	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(NC3)(H)2	C(CHHN)(NC3)(H)2	109.4307	1.879	3	109.4307	3.530	3	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(C[6a]C[6a]N[6a])(NC3)(H)2	C(CHHN)(NC3)(H)2	105.8490	0.000	1	105.8490	0.000	1	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	C(C[6a]C[6a]2)(NC3)(H)2	C(CH3)(NC3)(H)2	110.1016	1.734	12	110.1016	3.006	12	109.2723	5.090	156	109.2409	5.266	175	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	109.8790	0.000	1	109.8790	0.000	1	110.8625	1.935	2	110.8625	1.935	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	111.8460	0.000	1	111.8460	0.000	1	110.8625	1.935	2	110.8625	1.935	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	3:4:4:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	C[6a]-3:C-4:N-4:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(NC3)(H)3	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a,6a]C[6a])(CH3)(NC3)(H)	C(NC3)(H)3	110.6857	1.964	6	110.6857	3.857	6	110.4922	5.288	17	110.4922	5.288	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(NC3)(H)3	N(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(NC3)(H)3	110.8962	2.310	9	110.8962	5.334	9	110.4922	5.288	17	110.4922	5.288	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(NC3)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CH3)(NC3)(H)	C(NC3)(H)3	105.9200	0.000	1	105.9200	0.000	1	110.4922	5.288	17	110.4922	5.288	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	3:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(NC3)(H)3	N(CC[6a]CH)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(CHHO)(NC3)(H)	C(NC3)(H)3	110.2670	0.000	1	110.2670	0.000	1	110.4922	5.288	17	110.4922	5.288	17	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	106.3750	0.000	1	106.3750	0.000	1	107.3450	0.889	3	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	108.2580	0.000	1	108.2580	0.000	1	107.3450	0.889	3	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	107.4020	0.000	1	107.4020	0.000	1	107.3450	0.889	3	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BAsHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BAsHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.2723	0.729	6	108.2723	0.531	6	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BBr2H)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BBr2H)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	107.9260	0.540	2	107.9260	0.292	2	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCCH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BCCH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.1730	0.614	2	108.1730	0.377	2	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCHH)(CCHH)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(BCHH)(CCHH)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	107.9550	0.040	2	107.9550	0.002	2	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BCHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.0400	0.577	5	108.0400	0.333	5	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	108.5700	0.000	1	108.5700	0.000	1	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[6]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BC[6]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.4820	0.545	3	108.4820	0.297	3	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[6a]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BC[6a]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.4893	0.130	3	108.4893	0.017	3	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.4265	0.028	2	108.4265	0.001	2	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BHHN)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.4770	0.427	3	108.4770	0.182	3	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHO)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BHHO)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.7545	0.793	6	108.7545	0.630	6	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHP)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BHHP)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.1956	1.073	24	108.1956	1.151	24	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHS)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BHHS)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.5700	0.263	9	108.5700	0.069	9	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BN[6]HH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	107.5993	0.424	3	107.5993	0.179	3	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BSnHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BSnHH)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	107.9093	4.762	3	107.9093	22.678	3	108.2782	1.190	74	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(CC[5]CH)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	107.3600	0.000	1	107.3600	0.000	1	107.4808	1.732	4	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(CC[6]HH)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	108.3010	0.000	1	108.3010	0.000	1	107.4808	1.732	4	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	105.6710	0.000	1	105.6710	0.000	1	107.4808	1.732	4	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	N(CHHN)(BH3)(CH3)2	C(NBCC)(H)3	C(NBCC)(H)3	108.5910	0.000	1	108.5910	0.000	1	107.4808	1.732	4	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:Br-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CBrHH)(CH3)3	C(NC3)(Br)(H)2	C(NC3)(H)3	N(CBrHH)(CH3)3	C(NC3)(Br)(H)2	C(NC3)(H)3	109.0283	2.961	10	109.0283	8.767	10	109.0283	8.767	10	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)2	C(NC3)(Cl)(H)2	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)2	C(NC3)(Cl)(H)2	C(NC3)(H)3	108.1480	3.192	2	108.1480	10.188	2	109.3874	8.555	25	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:Cl-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CH3)3	C(NC3)(Cl)(H)2	C(NC3)(H)3	N(CClHH)(CH3)3	C(NC3)(Cl)(H)2	C(NC3)(H)3	109.4951	2.953	23	109.4951	8.718	23	109.3874	8.555	25	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CB[5]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CB[5]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	107.6950	0.000	1	107.6950	0.000	1	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CBrHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CBrHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.5460	0.825	10	109.5460	0.681	10	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	101.9894	4.738	3	101.9894	22.452	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CCCH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.1419	3.328	17	108.1419	11.079	17	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CCHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.0902	1.694	570	109.0902	2.870	570	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHI)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CCHH)(CHHI)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	108.8157	1.273	3	108.8157	1.620	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CCHH)2(CH3)2	C(NC3)(H)3	C(NC3)(H)3	108.5572	1.059	25	108.5572	1.121	25	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHS)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CCHS)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.2087	0.558	3	109.2087	0.311	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5,6]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[5,6]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.1930	1.840	3	108.1930	3.384	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	108.8783	0.946	4	108.8783	0.896	4	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[5]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.0405	0.865	54	109.0405	0.748	54	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[5a]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.6797	1.435	3	108.6797	2.060	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5x3,5x5,20x6]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[5x3,5x5,20x6]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.9628	1.506	6	108.9628	2.267	6	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCCH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CC[6]HH)(CCCH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	107.5880	0.000	1	107.5880	0.000	1	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	108.4607	0.392	6	108.4607	0.154	6	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]CH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a]CH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.0679	1.214	15	108.0679	1.474	15	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	109.0395	1.283	23	109.0395	1.646	23	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a]HH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.0318	1.324	179	109.0318	1.754	179	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CC[6a]HH)2(CH3)2	C(NC3)(H)3	C(NC3)(H)3	109.0171	0.822	14	109.0171	0.676	14	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)2	C(NC3)(H)3	C(NC3)(H)3	108.2140	0.000	1	108.2140	0.000	1	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CClHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	109.3225	0.620	24	109.3225	0.385	24	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CH3)4	C(NC3)(H)3	C(NC3)(H)3	N(CH3)4	C(NC3)(H)3	C(NC3)(H)3	109.4562	1.891	2412	109.4562	3.577	2412	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHI)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CHHI)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	107.3449	4.400	9	107.3449	19.363	9	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CSnHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	N(CSnHH)(CH3)3	C(NC3)(H)3	C(NC3)(H)3	108.9637	0.511	3	108.9637	0.261	3	109.3210	3.394	3389	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:I-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHI)(CH3)2	C(NC3)(H)2(I)	C(NC3)(H)3	N(CCHH)(CHHI)(CH3)2	C(NC3)(H)2(I)	C(NC3)(H)3	109.8573	1.487	6	109.8573	2.210	6	110.7623	5.581	15	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:H-1:H-1:I-1:	N-4:H-1:H-1:H-1:	N(CHHI)(CH3)3	C(NC3)(H)2(I)	C(NC3)(H)3	N(CHHI)(CH3)3	C(NC3)(H)2(I)	C(NC3)(H)3	111.3656	2.713	9	111.3656	7.362	9	110.7623	5.581	15	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:In-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CN[5a]HH)(InC3)(CH3)2	C(NInCC)(H)3	C(NInCC)(H)3	N(CN[5a]HH)(InC3)(CH3)2	C(NInCC)(H)3	C(NInCC)(H)3	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[3x6]C[6,6]3)(CH3)3	C(NC[3x6]CC)(H)3	C(NC[3x6]CC)(H)3	N(C[3x6]C[6,6]3)(CH3)3	C(NC[3x6]CC)(H)3	C(NC[3x6]CC)(H)3	107.1449	1.039	17	107.1449	1.080	17	107.1449	1.080	17	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CH3)2	C(NC[6]CC)(H)3	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CCHH)(CH3)2	C(NC[6]CC)(H)3	C(NC[6]CC)(H)3	107.6337	1.296	3	107.6337	1.681	3	108.0015	0.986	15	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)3	C(NC[6]CC)(H)3	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CH3)3	C(NC[6]CC)(H)3	C(NC[6]CC)(H)3	108.0934	0.950	12	108.0934	0.903	12	108.0015	0.986	15	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	108.2370	0.096	2	108.2370	0.009	2	108.6993	0.225	6	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(H)3	C(NGaCC)(H)3	108.3330	0.000	1	108.3330	0.000	1	108.6993	0.225	6	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaH3)(CH3)3	C(NGaCC)(H)3	C(NGaCC)(H)3	N(GaH3)(CH3)3	C(NGaCC)(H)3	C(NGaCC)(H)3	109.1297	0.016	3	109.1297	0.000	3	108.6993	0.225	6	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Ga[4]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(Ga[4]P[4]2H)(CH3)3	C(NGa[4]CC)(H)3	C(NGa[4]CC)(H)3	N(Ga[4]P[4]2H)(CH3)3	C(NGa[4]CC)(H)3	C(NGa[4]CC)(H)3	109.5490	0.657	3	109.5490	0.431	3	109.5490	0.431	3	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(InBr2In)(CCHH)(CH3)2	C(NInCC)(H)3	C(NInCC)(H)3	N(InBr2In)(CCHH)(CH3)2	C(NInCC)(H)3	C(NInCC)(H)3	108.9255	1.167	2	108.9255	1.363	2	108.9255	1.363	2	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	In[5]-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	C(NIn[5]CC)(H)3	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	C(NIn[5]CC)(H)3	C(NIn[5]CC)(H)3	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	Si-4:Si-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(SiC3)2(CH3)2	C(NSi2C)(H)3	C(NSi2C)(H)3	N(SiC3)2(CH3)2	C(NSi2C)(H)3	C(NSi2C)(H)3	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.2847	3.432	3566	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-2:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(NC3)(CC)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(NC3)(CC)(H)2	C(NC3)(H)3	109.4505	0.305	2	109.4505	0.093	2	109.4505	0.093	2	109.4505	0.093	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-2:S-2:H-1:	N-4:H-1:H-1:H-1:	N(CCHS)(CH3)3	C(NC3)(CC)(SC)(H)	C(NC3)(H)3	N(CCHS)(CH3)3	C(NC3)(CC)(SC)(H)	C(NC3)(H)3	109.7227	1.317	3	109.7227	1.735	3	109.7227	1.735	3	109.7227	1.735	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(BH3)(CH3)2	C(NBCC)(NCC)(H)2	C(NBCC)(H)3	N(CHHN)(BH3)(CH3)2	C(NBCC)(NCC)(H)2	C(NBCC)(H)3	109.8635	0.356	2	109.8635	0.127	2	109.8635	0.127	2	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(NC3)(CCH)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(NC3)(CCH)(H)2	C(NC3)(H)3	104.5574	9.738	9	104.5574	94.832	9	109.3996	9.516	183	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(NC3)(CNO)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(NC3)(CNO)(H)2	C(NC3)(H)3	109.8327	1.929	24	109.8327	3.723	24	109.3996	9.516	183	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(NC3)(COO)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(NC3)(COO)(H)2	C(NC3)(H)3	109.7099	2.056	136	109.7099	4.227	136	109.3996	9.516	183	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(NC3)(CCH)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(NC3)(CCH)(H)2	C(NC3)(H)3	108.3940	2.052	2	108.3940	4.211	2	109.3996	9.516	183	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(NC3)(COO)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(NC3)(COO)(H)2	C(NC3)(H)3	108.8159	2.665	12	108.8159	7.102	12	109.3996	9.516	183	109.4046	9.416	185	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	N-4:C-3:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)4	C(NC3)(CHH)(H)2	C(NC3)(CHH)(H)2	N(CCHH)4	C(NC3)(CHH)(H)2	C(NC3)(CHH)(H)2	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCHH)(CCHH)(CH3)2	C(CHHN)(NBCC)(H)2	C(NBCC)(H)3	N(BCHH)(CCHH)(CH3)2	C(CHHN)(NBCC)(H)2	C(NBCC)(H)3	108.6917	3.405	4	108.6917	11.593	4	108.6917	11.593	4	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(CH3)(H)2	C(NBCC)(H)3	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(CH3)(H)2	C(NBCC)(H)3	110.0445	0.576	2	110.0445	0.332	2	110.0445	0.332	2	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(BH3)(CH3)2	C(C[6]C[6]2Cr)(NBCC)(H)2	C(NBCC)(H)3	N(CC[6]HH)(BH3)(CH3)2	C(C[6]C[6]2Cr)(NBCC)(H)2	C(NBCC)(H)3	108.6205	2.801	2	108.6205	7.845	2	108.6205	7.845	2	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	B[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CB[5]HH)(CCHH)(CH3)2	C(B[5]C[4]O[5]2)(NC3)(H)2	C(NC3)(H)3	N(CB[5]HH)(CCHH)(CH3)2	C(B[5]C[4]O[5]2)(NC3)(H)2	C(NC3)(H)3	110.4455	0.244	2	110.4455	0.060	2	110.4455	0.060	2	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:Br-1:H-1:H-1:	N(CBrHH)(CCHH)3	C(CH3)(NC3)(H)2	C(NC3)(Br)(H)2	N(CBrHH)(CCHH)3	C(CH3)(NC3)(H)2	C(NC3)(Br)(H)2	109.2063	4.133	6	109.2063	17.084	6	109.2063	17.084	6	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:Cl-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(Cl)(H)2	113.4740	0.000	1	113.4740	0.000	1	109.2501	7.896	22	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:Cl-1:H-1:H-1:	N(CClHH)(CCHH)3	C(CH3)(NC3)(H)2	C(NC3)(Cl)(H)2	N(CClHH)(CCHH)3	C(CH3)(NC3)(H)2	C(NC3)(Cl)(H)2	109.0490	2.712	21	109.0490	7.356	21	109.2501	7.896	22	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CB[5]HH)(CCHH)(CH3)2	C(CC[4]CH)(NC3)(H)2	C(NC3)(H)3	N(CB[5]HH)(CCHH)(CH3)2	C(CC[4]CH)(NC3)(H)2	C(NC3)(H)3	107.9600	1.977	2	107.9600	3.909	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)2	C(CBrHH)(NC3)(H)2	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	C(CBrHH)(NC3)(H)2	C(NC3)(H)3	111.0120	0.389	2	111.0120	0.151	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)2	C(CClHH)(NC3)(H)2	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	C(CClHH)(NC3)(H)2	C(NC3)(H)3	110.8025	10.336	2	110.8025	106.828	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)2	C(CFHH)(NC3)(H)2	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	C(CFHH)(NC3)(H)2	C(NC3)(H)3	110.3480	0.865	2	110.3480	0.749	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CBrHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CBrHH)(NC3)(H)2	C(NC3)(H)3	109.9517	1.597	9	109.9517	2.550	9	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CCHH)(NC3)(H)2	C(NC3)(H)3	109.7976	3.727	122	109.7976	13.891	122	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CCHO)(NC3)(H)2	C(NC3)(H)3	110.1744	3.627	39	110.1744	13.158	39	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CC[5]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CC[5]HH)(NC3)(H)2	C(NC3)(H)3	109.8534	1.715	12	109.8534	2.942	12	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CC[5a]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CC[5a]HH)(NC3)(H)2	C(NC3)(H)3	109.6192	2.204	15	109.6192	4.859	15	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CC[5x3,5x5,20x6]HH)(NC3)(H)2	C(NC3)(H)3	109.5277	3.454	3	109.5277	11.929	3	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CC[6a]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CC[6a]HH)(NC3)(H)2	C(NC3)(H)3	109.9444	1.578	9	109.9444	2.490	9	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CClHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CClHH)(NC3)(H)2	C(NC3)(H)3	109.6975	4.305	24	109.6975	18.536	24	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CH3)(NC3)(H)2	C(NC3)(H)3	109.5858	3.020	12	109.5858	9.123	12	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CHHN)(NC3)(H)2	C(NC3)(H)3	110.0281	2.083	30	110.0281	4.337	30	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CH3)3	C(CHHO)(NC3)(H)2	C(NC3)(H)3	109.9149	3.488	128	109.9149	12.169	128	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	108.7640	2.165	6	108.7640	4.688	6	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	109.8951	1.536	44	109.8951	2.358	44	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHO)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CCHO)(NC3)(H)2	C(NC3)(H)3	108.1725	1.336	2	108.1725	1.784	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CC[5a]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CC[5a]HH)(NC3)(H)2	C(NC3)(H)3	108.6210	1.346	2	108.6210	1.813	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	108.9945	2.353	4	108.9945	5.535	4	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	109.4323	1.972	24	109.4323	3.889	24	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CHHO)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CHHO)(NC3)(H)2	C(NC3)(H)3	109.0750	2.875	6	109.0750	8.266	6	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)2(CH3)2	C(CN[6a]HH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)2(CH3)2	C(CN[6a]HH)(NC3)(H)2	C(NC3)(H)3	109.7880	2.365	2	109.7880	5.591	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(NC3)(H)3	108.9231	1.220	52	108.9231	1.488	52	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CCHH)3(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	108.5510	2.049	24	108.5510	4.199	24	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(CH3)	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CCHH)3(CH3)	C(CHHN)(NC3)(H)2	C(NC3)(H)3	103.8657	0.569	3	103.8657	0.323	3	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(NC3)(H)3	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(NC3)(H)3	108.5856	2.199	5	108.5856	4.834	5	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	110.2102	1.708	6	110.2102	2.919	6	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	109.3245	1.911	2	109.3245	3.653	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CC[5a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	107.9300	2.413	2	107.9300	5.821	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	110.2715	1.760	8	110.2715	3.098	8	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(CHHO)(NC3)(H)2	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	C(CHHO)(NC3)(H)2	C(NC3)(H)3	110.0405	1.077	4	110.0405	1.159	4	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CBHH)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CBHH)(NC3)(H)2	C(NC3)(H)3	110.4367	0.520	4	110.4367	0.270	4	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)3	109.5809	1.763	28	109.5809	3.109	28	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHN)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CCHN)(NC3)(H)2	C(NC3)(H)3	111.3325	1.995	2	111.3325	3.979	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CC[6]HH)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CC[6]HH)(NC3)(H)2	C(NC3)(H)3	110.0810	0.130	2	110.0810	0.017	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(H)3	109.3770	2.079	6	109.3770	4.321	6	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	110.5528	3.526	4	110.5528	12.435	4	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(NC3)(H)3	110.4370	0.717	4	110.4370	0.514	4	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CC[6a]HH)(CC[6]HH)(CCHH)(CH3)	C(CHHN)(NC3)(H)2	C(NC3)(H)3	109.9590	0.000	1	109.9590	0.000	1	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CClHH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	N(CClHH)(CCHH)(CH3)2	C(CHHN)(NC3)(H)2	C(NC3)(H)3	109.3890	3.007	2	109.3890	9.040	2	109.6695	8.476	660	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:I-1:	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)2(I)	N(CCHH)(CHHI)(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(H)2(I)	110.6207	5.484	3	110.6207	30.074	3	110.6207	30.074	3	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5,6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5,6]HH)(CH3)3	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C(NC3)(H)3	N(CC[5,6]HH)(CH3)3	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C(NC3)(H)3	110.6130	4.082	3	110.6130	16.662	3	110.6130	16.662	3	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(NC3)(H)3	109.3881	1.376	8	109.3881	1.892	8	109.7526	2.725	56	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)3	C(C[5]C[5]2Fe)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CH3)3	C(C[5]C[5]2Fe)(NC3)(H)2	C(NC3)(H)3	109.8418	1.665	42	109.8418	2.773	42	109.7526	2.725	56	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]HH)(CH3)3	C(C[5]C[5]O[5]H)(NC3)(H)2	C(NC3)(H)3	N(CC[5]HH)(CH3)3	C(C[5]C[5]O[5]H)(NC3)(H)2	C(NC3)(H)3	109.6140	2.071	6	109.6140	4.288	6	109.7526	2.725	56	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2Cr)(NC3)(H)2	C(NC3)(H)3	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2Cr)(NC3)(H)2	C(NC3)(H)3	108.4202	1.103	4	108.4202	1.216	4	108.4202	1.216	4	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[4]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[4]C[4]2H)(CCHH)2(CH3)	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(H)3	N(C[4]C[4]2H)(CCHH)2(CH3)	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(H)3	109.2585	1.421	4	109.2585	2.020	4	109.2585	2.020	4	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CH3)2	C(NC[6]CC)(CCHH)(H)2	C(NC[6]CC)(H)3	N(C[6]C[6]2H)(CCHH)(CH3)2	C(NC[6]CC)(CCHH)(H)2	C(NC[6]CC)(H)3	108.8282	1.680	6	108.8282	2.822	6	108.8282	2.822	6	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	N(GaCl2O)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	109.5705	1.172	4	109.5705	1.374	4	109.4223	2.022	6	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	Ga-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	N(GaClOO)(CCHH)(CH3)2	C(NGaCC)(CHHN)(H)2	C(NGaCC)(H)3	109.1260	2.393	2	109.1260	5.726	2	109.4223	2.022	6	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	In-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(InBr2In)(CCHH)(CH3)2	C(NInCC)(CHHN)(H)2	C(NInCC)(H)3	N(InBr2In)(CCHH)(CH3)2	C(NInCC)(CHHN)(H)2	C(NInCC)(H)3	109.5470	1.579	4	109.5470	2.492	4	109.5470	2.492	4	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]I)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(NIn[5]CC)(H)3	109.7055	0.605	2	109.7055	0.366	2	109.7055	0.366	2	109.6453	7.892	786	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)2(CH3)2	C(CN[6a]HH)(NC3)(H)2	C(NC3)(CC)(H)2	N(CCHH)2(CH3)2	C(CN[6a]HH)(NC3)(H)2	C(NC3)(CC)(H)2	108.9800	0.000	1	108.9800	0.000	1	109.4010	1.329	4	109.4010	1.329	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CC)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CC)(H)2	109.5413	1.369	3	109.5413	1.875	3	109.4010	1.329	4	109.4010	1.329	4	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	108.6380	0.000	1	108.6380	0.000	1	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(NC3)(COO)(H)2	109.4584	0.794	5	109.4584	0.630	5	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)2(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(COO)(H)2	N(CCHH)2(CH3)2	C(CH3)(NC3)(H)2	C(NC3)(COO)(H)2	107.9970	0.000	1	107.9970	0.000	1	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CCH)(H)2	109.1148	1.183	6	109.1148	1.399	6	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CHH)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(NC3)(CHH)(H)2	109.2606	2.905	20	109.2606	8.441	20	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:C-3:H-1:H-1:	N(CCHH)4	C(CH3)(NC3)(H)2	C(NC3)(CHH)(H)2	N(CCHH)4	C(CH3)(NC3)(H)2	C(NC3)(CHH)(H)2	109.1809	2.466	9	109.1809	6.080	9	109.2013	5.384	42	109.2013	5.384	42	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BHHN)(CCHH)3	C(CCHH)(NBCC)(H)2	C(CCHH)(NBCC)(H)2	N(BHHN)(CCHH)3	C(CCHH)(NBCC)(H)2	C(CCHH)(NBCC)(H)2	108.8620	3.614	3	108.8620	13.064	3	108.8620	13.064	3	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(BClHH)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	N(BClHH)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	109.1663	2.959	3	109.1663	8.755	3	108.7454	3.389	15	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	108.3678	1.785	9	108.3678	3.184	9	108.7454	3.389	15	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(BHHO)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	N(BHHO)(CCHH)3	C(NBCC)(CH3)(H)2	C(NBCC)(CH3)(H)2	109.4573	0.752	3	109.4573	0.565	3	108.7454	3.389	15	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	B[5a]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(B[5a]O[5a]2Cl)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(NB[5a]CC)(CH3)(H)2	N(B[5a]O[5a]2Cl)(CCHH)3	C(NB[5a]CC)(CH3)(H)2	C(NB[5a]CC)(CH3)(H)2	108.7480	3.256	3	108.7480	10.601	3	108.7480	10.601	3	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:B-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(BH3)	C(CCHH)(NBCC)(H)2	C(CHHS)(NBCC)(H)2	N(CCHH)3(BH3)	C(CCHH)(NBCC)(H)2	C(CHHS)(NBCC)(H)2	110.1485	2.453	2	110.1485	6.017	2	109.2557	5.400	3	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:B-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(BH3)	C(CHHS)(NBCC)(H)2	C(CHHS)(NBCC)(H)2	N(CCHH)3(BH3)	C(CHHS)(NBCC)(H)2	C(CHHS)(NBCC)(H)2	107.4700	0.000	1	107.4700	0.000	1	109.2557	5.400	3	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	B[5]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CB[5]HH)(CCHH)(CH3)2	C(B[5]C[4]O[5]2)(NC3)(H)2	C(CC[4]CH)(NC3)(H)2	N(CB[5]HH)(CCHH)(CH3)2	C(B[5]C[4]O[5]2)(NC3)(H)2	C(CC[4]CH)(NC3)(H)2	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CBrHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CBrHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.7783	2.509	6	109.7783	6.295	6	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	112.9555	0.769	4	112.9555	0.591	4	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CH3)(NC3)(H)2	109.1800	0.000	1	109.1800	0.000	1	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	C(CCHH)(NC3)(H)2	C(CHHN)(NC3)(H)2	106.6978	2.639	6	106.6978	6.966	6	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CCHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	N(CCHH)2(CH3)2	C(CCHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	114.2320	0.000	1	114.2320	0.000	1	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CC[5a]HH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)2(CH3)2	C(CC[5a]HH)(NC3)(H)2	C(CCHH)(NC3)(H)2	114.0300	0.000	1	114.0300	0.000	1	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)2(CH3)2	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	113.8463	0.223	3	113.8463	0.050	3	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)2(CH3)2	C(CHHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	N(CCHH)2(CH3)2	C(CHHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	112.4590	0.000	1	112.4590	0.000	1	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	110.0432	2.260	51	110.0432	5.108	51	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CHHO)(NC3)(H)2	N(CCHH)3(CH3)	C(CCHH)(NC3)(H)2	C(CHHO)(NC3)(H)2	108.4245	4.043	2	108.4245	16.342	2	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)3(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	110.3649	2.762	24	110.3649	7.629	24	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CH3)	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CCHH)3(CH3)	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	114.4480	0.520	3	114.4480	0.270	3	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	N(CCHH)3(CH3)	C(CHHO)(NC3)(H)2	C(CHHO)(NC3)(H)2	110.8235	1.514	4	110.8235	2.293	4	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	109.4700	2.320	6615	109.4700	5.381	6615	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)4	C(CCHH)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4064	1.841	15	109.4064	3.388	15	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)4	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)4	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4745	2.585	5278	109.4745	6.683	5278	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)4	C(CHHN)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)4	C(CHHN)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4948	1.917	12	109.4948	3.677	12	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)4	C(CHHO)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CCHH)4	C(CHHO)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4915	1.179	6	109.4915	1.391	6	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[5a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	113.2280	0.000	1	113.2280	0.000	1	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.4928	2.003	12	109.4928	4.011	12	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)2(CH3)	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	108.2455	0.105	2	108.2455	0.011	2	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(CCHH)(NC3)(H)2	C(CCHH)(NC3)(H)2	109.2729	2.548	25	109.2729	6.491	25	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.6503	2.379	87	109.6503	5.658	87	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)(CCHH)3	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	N(CC[6a]HH)(CCHH)3	C(CHHN)(NC3)(H)2	C(CHHN)(NC3)(H)2	109.5310	2.758	3	109.5310	7.609	3	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6a]HH)2(CCHH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[6a]HH)2(CCHH)2	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	108.2960	0.167	3	108.2960	0.028	3	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CClHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CClHH)(CCHH)3	C(CH3)(NC3)(H)2	C(CH3)(NC3)(H)2	109.9172	2.113	21	109.9172	4.464	21	109.4810	5.959	12187	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(CCHH)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(CCHH)(NC3)(H)2	108.0237	1.602	3	108.0237	2.567	3	109.1268	6.579	4	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[5]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(CH3)(NC3)(H)2	N(CC[5]HH)(CCHH)(CH3)2	C(C[5]C[5]2Fe)(NC3)(H)2	C(CH3)(NC3)(H)2	112.4360	0.000	1	112.4360	0.000	1	109.1268	6.579	4	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2Cr)(NC3)(H)2	C(CHHO)(NC3)(H)2	N(CC[6]HH)(CCHH)(CH3)2	C(C[6]C[6]2Cr)(NC3)(H)2	C(CHHO)(NC3)(H)2	111.3640	2.679	2	111.3640	7.174	2	111.3640	7.174	2	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:C-4:C-4:S-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(CCHH)3(SO3)	C(CCHH)(NCCS)(H)2	C(CCHH)(NCCS)(H)2	N(CCHH)3(SO3)	C(CCHH)(NCCS)(H)2	C(CCHH)(NCCS)(H)2	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[4]C[4]2H)(CCHH)2(CH3)	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]2H)(CCHH)2(CH3)	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(CH3)(H)2	110.2180	2.584	2	110.2180	6.676	2	109.6646	3.585	5	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[4]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[4]C[4]N[4]H)(CCHH)3	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(CH3)(H)2	N(C[4]C[4]N[4]H)(CCHH)3	C(NC[4]CC)(CH3)(H)2	C(NC[4]CC)(CH3)(H)2	109.2957	1.822	3	109.2957	3.321	3	109.6646	3.585	5	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[5]C[5,6a]C[5]H)(CCHH)3	C(NC[5]CC)(CH3)(H)2	C(NC[5]CC)(CH3)(H)2	N(C[5]C[5,6a]C[5]H)(CCHH)3	C(NC[5]CC)(CH3)(H)2	C(NC[5]CC)(CH3)(H)2	108.7575	2.639	6	108.7575	6.964	6	108.7575	6.964	6	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)3	C(NC[6]CC)(CH3)(H)2	C(NC[6]CC)(CH3)(H)2	N(C[6]C[6]2H)(CCHH)3	C(NC[6]CC)(CH3)(H)2	C(NC[6]CC)(CH3)(H)2	108.5977	3.422	6	108.5977	11.707	6	108.5977	11.707	6	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	Si-4:Si-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(SiCCW)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(NSi2C)(CH3)(H)2	N(SiCCW)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(NSi2C)(CH3)(H)2	110.9760	0.000	1	110.9760	0.000	1	110.6475	0.216	2	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	Si-4:Si-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(SiMoCC)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(NSi2C)(CH3)(H)2	N(SiMoCC)2(CCHH)2	C(NSi2C)(CH3)(H)2	C(NSi2C)(CH3)(H)2	110.3190	0.000	1	110.3190	0.000	1	110.6475	0.216	2	109.4796	5.957	12238	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N(CCCH)(CCHH)(CH3)2	C(CBrHH)(NC3)(H)2	C(CH3)2(NC3)(H)	N(CCCH)(CCHH)(CH3)2	C(CBrHH)(NC3)(H)2	C(CH3)2(NC3)(H)	120.2080	0.000	1	120.2080	0.000	1	117.4070	33.969	3	117.4070	33.969	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N(CCCH)(CCHH)(CH3)2	C(CClHH)(NC3)(H)2	C(CH3)2(NC3)(H)	N(CCCH)(CCHH)(CH3)2	C(CClHH)(NC3)(H)2	C(CH3)2(NC3)(H)	121.3060	0.000	1	121.3060	0.000	1	117.4070	33.969	3	117.4070	33.969	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:1:1:	4:4:4:1:	C-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:C-4:N-4:H-1:	N(CCCH)(CCHH)(CH3)2	C(CFHH)(NC3)(H)2	C(CH3)2(NC3)(H)	N(CCCH)(CCHH)(CH3)2	C(CFHH)(NC3)(H)2	C(CH3)2(NC3)(H)	110.7070	0.000	1	110.7070	0.000	1	117.4070	33.969	3	117.4070	33.969	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:N-4:C-2:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)3	C(CH3)(NC3)(CC)(H)	C(NC3)(H)3	N(CCCH)(CH3)3	C(CH3)(NC3)(CC)(H)	C(NC3)(H)3	110.1977	1.867	6	110.1977	3.487	6	110.1977	3.487	6	110.1977	3.487	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	C[6]-3:N-4:H-1:H-1:	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6]C[6]2)(NC3)(H)2	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6]C[6]2)(NC3)(H)2	110.1320	0.000	1	110.1320	0.000	1	110.1320	0.000	1	109.3913	7.213	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	3:4:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(C[6a]C[6a]2)(NC3)(H)2	109.0210	3.688	2	109.0210	13.603	2	109.0210	13.603	2	109.3913	7.213	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	C[5]-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(BH3)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(NBCC)(H)3	N(CC[5]CH)(BH3)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	C(NBCC)(H)3	110.1420	2.070	2	110.1420	4.287	2	110.1420	4.287	2	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CCHH)(CH3)2	C(CH3)2(NC3)(H)	C(NC3)(H)3	N(CCCH)(CCHH)(CH3)2	C(CH3)2(NC3)(H)	C(NC3)(H)3	106.4209	7.424	6	106.4209	55.109	6	109.5368	25.615	21	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(NC3)(H)3	N(CCCH)(CH3)3	C(CC3)(CH3)(NC3)(H)	C(NC3)(H)3	110.8305	4.385	6	110.8305	19.232	6	109.5368	25.615	21	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CCCH)(CH3)3	C(CC[6a]HH)(CHHO)(NC3)(H)	C(NC3)(H)3	N(CCCH)(CH3)3	C(CC[6a]HH)(CHHO)(NC3)(H)	C(NC3)(H)3	110.8387	2.851	6	110.8387	8.128	6	109.5368	25.615	21	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(NC3)(H)3	N(CC[6]HH)(CCCH)(CH3)2	C(CC[6a]HO)(CH3)(NC3)(H)	C(NC3)(H)3	109.2690	2.823	2	109.2690	7.968	2	109.5368	25.615	21	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(NC3)(H)3	N(CC[6a]HH)2(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NC3)(H)	C(NC3)(H)3	113.1940	0.000	1	113.1940	0.000	1	109.5368	25.615	21	109.5894	23.511	23	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:4:4:	6:4:1:1:	4:1:1:1:	C-4:C-4:C-4:C-4:	C[5x3,5x5,20x6]-6:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5x3,5x5,20x6]HH)(CH3)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	C(NC3)(H)3	N(CC[5x3,5x5,20x6]HH)(CH3)3	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC3)(H)2	C(NC3)(H)3	109.8650	3.851	6	109.8650	14.834	6	109.8650	14.834	6	109.8650	14.834	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	4:4:5:1:	3:4:1:1:	3:4:1:1:	C-4:C-4:B-5:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(CC[6a]HH)2(BCaH3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C(C[6a]C[6a]2)(NBCH)(H)2	N(CC[6a]HH)2(BCaH3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	C(C[6a]C[6a]2)(NBCH)(H)2	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:1:	4:1:1:1:	4:1:1:1:	B-5:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BZrH3)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	N(BZrH3)(CH3)2(H)	C(NBCH)(H)3	C(NBCH)(H)3	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:1:	4:4:1:1:	4:4:1:1:	B[3,3,5,3x6]-5:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	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	C(NB[3,3,5,3x6]CH)(CH3)(H)2	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	C(NB[3,3,5,3x6]CH)(CH3)(H)2	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	113.8845	0.406	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:1:	4:4:1:1:	4:4:1:1:	B[3,3,6,6]-5:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	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	C(NB[3,3,6,6]CH)(CH3)(H)2	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	C(NB[3,3,6,6]CH)(CH3)(H)2	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	113.8845	0.406	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:1:	4:4:4:4:	4:1:1:1:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	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(NC[3x3,3x5,12x6]CH)(H)3	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(NC[3x3,3x5,12x6]CH)(H)3	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	B-5:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BAlH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BAlH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.8850	0.497	3	108.8850	0.247	3	108.7602	0.543	6	108.0853	1.163	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	B-5:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BZrH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	N(BZrH3)(CH3)3	C(NBCC)(H)3	C(NBCC)(H)3	108.6353	1.031	3	108.6353	1.062	3	108.7602	0.543	6	108.0853	1.163	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	B[3x3,3x5,12x6]-5:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)3	C(NB[3x3,3x5,12x6]CC)(H)3	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CH3)3	C(NB[3x3,3x5,12x6]CC)(H)3	C(NB[3x3,3x5,12x6]CC)(H)3	107.6401	1.130	9	107.6401	1.277	9	107.6401	1.277	9	108.0853	1.163	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:4:	4:1:1:1:	4:1:1:1:	In[5]-5:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	C(NIn[5]CC)(H)3	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	C(NIn[5]CC)(H)3	C(NIn[5]CC)(H)3	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0853	1.163	16	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:4:4:4:	4:4:1:1:	4:1:1:1:	In[5]-5:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(NIn[5]CC)(H)3	N(In[5]N[5]O[5]Cl2)(CCHH)(CH3)2	C(NIn[5]CC)(CHHN)(H)2	C(NIn[5]CC)(H)3	109.4510	1.136	2	109.4510	1.290	2	109.4510	1.290	2	109.4510	1.290	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:5:4:4:	4:1:1:1:	4:1:1:1:	B-5:B-5:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BCaH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BCaH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	108.6843	0.456	4	108.6843	0.208	4	108.5727	0.212	12	108.5727	0.212	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:5:4:4:	4:1:1:1:	4:1:1:1:	B-5:B-5:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3U)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BH3U)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	108.3440	0.536	3	108.3440	0.287	3	108.5727	0.212	12	108.5727	0.212	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:5:4:4:	4:1:1:1:	4:1:1:1:	B-5:B-5:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BMnH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BMnH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	108.8690	0.658	2	108.8690	0.432	2	108.5727	0.212	12	108.5727	0.212	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	5:5:4:4:	4:1:1:1:	4:1:1:1:	B-5:B-5:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BSmH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	N(BSmH3)2(CH3)2	C(NBBC)(H)3	C(NBBC)(H)3	108.4550	0.371	3	108.4550	0.138	3	108.5727	0.212	12	108.5727	0.212	12	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:1:	4:3:1:1:	4:3:1:1:	B[3x3,3x5,12x6]-6:C-4:C-4:H-1:	N-4:C[6a]-3:H-1:H-1:	N-4:C[6a]-3:H-1:H-1:	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	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	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	C(NB[3x3,3x5,12x6]CH)(C[6a]C[6a]2)(H)2	113.7660	0.202	2	113.7660	0.041	2	113.7660	0.041	2	113.7660	0.041	2	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:1:	4:4:1:1:	4:4:1:1:	In[4]-6:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	C(NIn[4]CH)(CH3)(H)2	C(NIn[4]CH)(CH3)(H)2	N(In[4]Cl[4]2Cl3)(CCHH)2(H)	C(NIn[4]CH)(CH3)(H)2	C(NIn[4]CH)(CH3)(H)2	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	B[3x3,3x5,12x6]-6:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)3	C(NB[3x3,3x5,12x6]CC)(H)3	C(NB[3x3,3x5,12x6]CC)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Mo)(CH3)3	C(NB[3x3,3x5,12x6]CC)(H)3	C(NB[3x3,3x5,12x6]CC)(H)3	106.8243	1.328	3	106.8243	1.765	3	106.8243	1.765	3	106.7295	0.823	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)3	C(NB[5x3,5x5,20x6]CC)(H)3	C(NB[5x3,5x5,20x6]CC)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CH3)3	C(NB[5x3,5x5,20x6]CC)(H)3	C(NB[5x3,5x5,20x6]CC)(H)3	106.6347	0.516	3	106.6347	0.266	3	106.6347	0.266	3	106.7295	0.823	6	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:4:	4:2:1:1:	4:2:1:1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	N-4:C-2:H-1:H-1:	N-4:C-2:H-1:H-1:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	109.2630	1.353	3	109.2630	1.831	3	109.2630	1.831	3	109.2630	1.831	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	490	0:SP3_SP3_SP3	N	C	C	6:4:4:4:	4:4:1:1:	4:4:1:1:	B[5x3,5x5,20x6]-6:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCHH)3	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	C(NB[5x3,5x5,20x6]CC)(CH3)(H)2	108.2247	2.425	3	108.2247	5.882	3	108.2247	5.882	3	108.2247	5.882	3	110.1856	7.858	23371	110.1856	7.858	23371
892	490	610	0:SP3_SP3_SP3	N	C	B	3:4:4:1:	4:4:4:1:	3:3:3:4:	C[6a]-3:B-4:C-4:H-1:	N-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	B(C[6a]C[6a]2)3(NC[6a]CH)	N(C[6a]C[6a]2)(BC[6a]3)(CCCH)(H)	C(NC[6a]BH)(CH3)2(H)	B(C[6a]C[6a]2)3(NC[6a]CH)	115.8390	0.393	2	115.8390	0.155	2	115.8390	0.155	2	115.8390	0.155	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	3:4:1:1:	3:3:3:4:	C-4:B-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(CC[6a]HH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)3(NCHH)	N(CC[6a]HH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)3(NCHH)	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	3:4:1:1:	3:3:4:2:	B-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:O-2:	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OC)	116.5113	1.400	4	116.5113	1.960	4	117.7854	9.587	5	117.7854	9.587	5	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	3:4:1:1:	3:3:4:2:	B-4:C-4:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-4:O-2:	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OH)	N(BC[6a]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(NBHH)(H)2	B(C[6a]C[6a]2)2(NCHH)(OH)	122.8820	0.000	1	122.8820	0.000	1	117.7854	9.587	5	117.7854	9.587	5	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	3:4:4:1:	3:3:3:4:	C-4:B-4:H-1:H-1:	C[6a]-3:N-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	B(C[6a]C[6a]2)3(NCHH)	N(CC[6a]CH)(BC[6a]3)(H)2	C(C[6a]C[6a]2)(NBHH)(CH3)(H)	B(C[6a]C[6a]2)3(NCHH)	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	2:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	S-2:N-4:H-1:H-1:	N(BHHS)(CH3)(H)2	C(NBHH)(H)3	B(SC[6a])(NCHH)(H)2	N(BHHS)(CH3)(H)2	C(NBHH)(H)3	B(SC[6a])(NCHH)(H)2	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)(H)3	N(BH3)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)(H)3	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	114.5270	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:C-4:H-1:H-1:	N(BCHH)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)(CH3)(H)2	N(BCHH)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)(CH3)(H)2	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:Cl-1:Cl-1:	N(BCl2N)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)2(Cl)2	N(BCl2N)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)2(Cl)2	116.7505	2.889	2	116.7505	8.344	2	116.7505	8.344	2	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NBCH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NBCH)(NCHH)(H)2	112.6822	0.583	4	112.6822	0.340	4	113.2311	3.247	9	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NBHH)(NCHH)(H)2	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NBHH)(NCHH)(H)2	114.5720	0.000	1	114.5720	0.000	1	113.2311	3.247	9	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)2(H)2	N(BHHN)(CH3)(H)2	C(NBHH)(H)3	B(NCHH)2(H)2	113.4447	2.694	4	113.4447	7.256	4	113.2311	3.247	9	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)(H)2	C(NBHH)(H)3	B(PC[6a]3)(NCHH)(H)2	N(BHHP)(CH3)(H)2	C(NBHH)(H)3	B(PC[6a]3)(NCHH)(H)2	114.5800	0.885	2	114.5800	0.784	2	114.5800	0.784	2	114.1089	4.557	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(BH3)(H)2	C(CCHH)(NBHH)(H)2	B(NCHH)(H)3	N(CCHH)(BH3)(H)2	C(CCHH)(NBHH)(H)2	B(NCHH)(H)3	115.6800	0.000	1	115.6800	0.000	1	114.8875	1.256	2	114.8875	1.256	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:B-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(BH3)(H)2	C(CN[5]HH)(NBHH)(H)2	B(NCHH)(H)3	N(CCHH)(BH3)(H)2	C(CN[5]HH)(NBHH)(H)2	B(NCHH)(H)3	114.0950	0.000	1	114.0950	0.000	1	114.8875	1.256	2	114.8875	1.256	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:4:1:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCHH)(H)2	C(NBHH)(CH3)(H)2	B(NBHH)(NCHH)(H)2	N(BHHN)(CCHH)(H)2	C(NBHH)(CH3)(H)2	B(NBHH)(NCHH)(H)2	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:4:4:1:	4:4:1:1:	B-4:C-4:H-1:H-1:	N-4:C-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCCH)(H)2	C(NBHH)(CH3)2(H)	B(NBHH)(NCHH)(H)2	N(BHHN)(CCCH)(H)2	C(NBHH)(CH3)2(H)	B(NBHH)(NCHH)(H)2	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:1:1:	4:4:4:4:	3:3:3:4:	B-4:C-4:H-1:H-1:	N-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(BC[6a]3)(CC3)(H)2	C(NBHH)(CH3)3	B(C[6a]C[6a]2)3(NCHH)	N(BC[6a]3)(CC3)(H)2	C(NBHH)(CH3)3	B(C[6a]C[6a]2)3(NCHH)	127.4700	1.298	2	127.4700	1.685	2	127.4700	1.685	2	127.4700	1.685	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:2:1:	4:4:1:1:	4:2:1:1:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	C(CBrHH)(NBHO)(H)2	B(NCHO)(CN)(H)2	113.7740	0.000	1	113.7740	0.000	1	113.7253	0.046	3	114.1403	0.719	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:2:1:	4:4:1:1:	4:2:1:1:	B-4:C-4:O-2:H-1:	C-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	B(NCHO)(CN)(H)2	N(BCHH)(CCHH)(OC)(H)	C(CClHH)(NBHO)(H)2	B(NCHO)(CN)(H)2	113.7010	0.297	2	113.7010	0.088	2	113.7253	0.046	3	114.1403	0.719	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:2:1:	4:4:1:1:	4:2:1:1:	C-4:B-4:O-2:H-1:	C[6]-4:N-4:H-1:H-1:	N-4:C-2:H-1:H-1:	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	B(NCHO)(CN)(H)2	N(CC[6]HH)(BCHH)(OC)(H)	C(C[6]C[5,6]O[6]H)(NBHO)(H)2	B(NCHO)(CN)(H)2	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	114.1403	0.719	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	3:4:1:1:	3:3:3:4:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	B(C[6a]C[6a]2)3(NCCH)	N(CC[6a]HH)2(BC[6a]3)(H)	C(C[6a]C[6a]2)(NBCH)(H)2	B(C[6a]C[6a]2)3(NCCH)	112.5820	3.055	2	112.5820	9.331	2	112.5820	9.331	2	112.5820	9.331	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:C-4:B-4:H-1:	C[6a]-3:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	B(NCCH)(H)3	N(CC[6a]HH)2(BH3)(H)	C(C[6a]C[6a]N[6a])(NBCH)(H)2	B(NCCH)(H)3	111.9960	0.651	2	111.9960	0.423	2	111.9960	0.423	2	111.9960	0.423	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	2:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	S-2:N-4:H-1:H-1:	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	B(SC[6a])(NCCH)(H)2	N(BHHS)(CH3)2(H)	C(NBCH)(H)3	B(SC[6a])(NCCH)(H)2	111.9161	1.174	10	111.9161	1.377	10	111.9161	1.377	10	111.9161	1.377	10	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	3:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[5]-3:N-4:H-1:H-1:	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	B(C[5]N[5]2)(NBCH)(H)2	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	111.8440	6.921	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	3:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C[6a]-3:N-4:Br-1:Br-1:	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	B(C[6a]C[6a]2)(NCCH)(Br)2	N(BC[6a]Br2)(CH3)2(H)	C(NBCH)(H)3	B(C[6a]C[6a]2)(NCCH)(Br)2	113.3620	0.123	2	113.3620	0.015	2	113.3620	0.015	2	111.8440	6.921	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	109.6000	0.000	1	109.6000	0.000	1	111.1519	0.552	8	111.3951	0.718	10	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	N(BH3)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	111.5532	0.414	4	111.5532	0.171	4	111.1519	0.552	8	111.3951	0.718	10	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(H)3	111.1340	0.384	3	111.1340	0.148	3	111.1519	0.552	8	111.3951	0.718	10	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)2(H)	C(NBCH)(H)3	B(NCCH)(H)3	N(BH3)(CH3)2(H)	C(NBCH)(H)3	B(NCCH)(H)3	112.3680	0.481	2	112.3680	0.231	2	112.3680	0.231	2	111.3951	0.718	10	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	112.1760	4.991	2	112.1760	24.908	2	111.1322	8.700	6	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)2(H)2	N(BHHN)(BH3)(CH3)(H)	C(NBBH)(H)3	B(NBCH)2(H)2	108.4470	0.000	1	108.4470	0.000	1	111.1322	8.700	6	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	108.8960	0.000	1	108.8960	0.000	1	111.1322	8.700	6	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)2(H)2	N(BHHN)2(CH3)(H)	C(NBBH)(H)3	B(NBCH)2(H)2	112.2410	0.000	1	112.2410	0.000	1	111.1322	8.700	6	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BIrHH)(BHHN)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	N(BIrHH)(BHHN)(CH3)(H)	C(NBBH)(H)3	B(NBCH)(NCHH)(H)2	112.8570	0.000	1	112.8570	0.000	1	111.1322	8.700	6	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	B(CHHP)(NCCH)(H)2	N(BCHH)(CH3)2(H)	C(NBCH)(H)3	B(CHHP)(NCCH)(H)2	112.0450	2.933	2	112.0450	8.603	2	112.0450	8.603	2	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	B(NBHH)(NCCH)(H)2	N(BHHN)(CH3)2(H)	C(NBCH)(H)3	B(NBHH)(NCCH)(H)2	112.4120	2.225	2	112.4120	4.949	2	112.4120	4.949	2	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	B(PC[6a]2B)(NCCH)(H)2	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	B(PC[6a]2B)(NCCH)(H)2	112.0275	3.202	2	112.0275	10.256	2	111.7523	6.627	4	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	B(PC[6a]3)(NCCH)(H)2	N(BHHP)(CH3)2(H)	C(NBCH)(H)3	B(PC[6a]3)(NCCH)(H)2	111.4770	3.053	2	111.4770	9.323	2	111.7523	6.627	4	111.6226	6.158	14	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:1:1:	4:1:1:1:	C-4:B-4:C-4:H-1:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	B(NCCH)(H)3	N(CCHH)(BH3)(CC3)(H)	C(CN[5]HH)(NBCH)(H)2	B(NCCH)(H)3	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:1:	2:4:1:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	S-2:N-4:H-1:H-1:	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(SC[6a])(NCCH)(H)2	N(BHHS)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(SC[6a])(NCCH)(H)2	114.8117	1.766	6	114.8117	3.119	6	114.8117	3.119	6	114.8117	3.119	6	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:C-4:H-1:H-1:	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(NCCH)(CH3)(H)2	N(BCHH)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(NCCH)(CH3)(H)2	114.4970	2.312	2	114.4970	5.346	2	114.4970	5.346	2	114.7763	2.228	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:1:	4:4:1:1:	B-4:C-4:C-4:H-1:	N-4:C-4:C-4:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(NBCC)(NCCH)(H)2	N(BHHN)(CCCH)2(H)	C(NBCH)(CH3)2(H)	B(NBCC)(NCCH)(H)2	115.0555	1.013	2	115.0555	1.027	2	115.0555	1.027	2	114.7763	2.228	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:4:	3:4:1:1:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	C[5]-3:N-4:H-1:H-1:	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(C[5]N[5]2)(NBCH)(H)2	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(C[5]N[5]2)(NBCH)(H)2	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	113.0510	0.076	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:4:	3:4:1:1:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N[6]-3:N-4:H-1:H-1:	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(N[6]C[6]2)(NBCH)(H)2	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(N[6]C[6]2)(NBCH)(H)2	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	113.0510	0.076	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:4:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(NBCH)(H)3	N(BC[5]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(NBCH)(H)3	116.8920	0.000	1	116.8920	0.000	1	116.1955	0.970	2	116.6893	1.217	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:4:	4:1:1:1:	B-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(NBCH)(H)3	N(BN[6]HH)(BH3)(CC3)(H)	C(NBBH)(CH3)3	B(NBCH)(H)3	115.4990	0.000	1	115.4990	0.000	1	116.1955	0.970	2	116.6893	1.217	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:1:	4:4:4:4:	4:1:1:1:	C-4:B-4:C-4:H-1:	N-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N(CCHH)(BH3)(CC3)(H)	C(NBCH)(CH3)3	B(NCCH)(H)3	N(CCHH)(BH3)(CC3)(H)	C(NBCH)(CH3)3	B(NCCH)(H)3	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	116.6893	1.217	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:2:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:O-2:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	B(NCCO)(H)3	N(BH3)(CH3)2(OSi)	C(NBCO)(H)3	B(NCCO)(H)3	111.5798	0.822	4	111.5798	0.675	4	111.5798	0.675	4	111.5798	0.675	4	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	3:4:1:1:	3:3:3:4:	C-4:B-4:C-4:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(C[6a]C[6a]2)(NBCC)(H)2	B(C[6a]C[6a]2)3(NC3)	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(C[6a]C[6a]2)(NBCC)(H)2	B(C[6a]C[6a]2)3(NC3)	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	2:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	S-2:N-4:H-1:H-1:	N(BHHS)(CH3)3	C(NBCC)(H)3	B(SC[6a])(NC3)(H)2	N(BHHS)(CH3)3	C(NBCC)(H)3	B(SC[6a])(NC3)(H)2	110.2715	2.140	6	110.2715	4.580	6	110.2715	4.580	6	110.2715	4.580	6	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	3:3:3:4:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-4:	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(NBCC)(H)3	B(C[6a]C[6a]2)3(NC3)	N(CC[6a]HH)(BC[6a]3)(CH3)2	C(NBCC)(H)3	B(C[6a]C[6a]2)3(NC3)	112.4695	0.045	2	112.4695	0.002	2	112.4695	0.002	2	112.4695	0.002	2	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	3:4:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	B(N[6]C[6]2)(NBCC)(H)2	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	B(N[6]C[6]2)(NBCC)(H)2	108.3330	3.347	2	108.3330	11.205	2	108.3330	11.205	2	110.2135	8.321	8	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	3:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6a]-3:N-4:H-1:H-1:	N(BC[6a]HH)(CH3)3	C(NBCC)(H)3	B(C[6a]C[6a]2)(NC3)(H)2	N(BC[6a]HH)(CH3)3	C(NBCC)(H)3	B(C[6a]C[6a]2)(NC3)(H)2	110.4233	2.519	3	110.4233	6.346	3	110.4233	6.346	3	110.2135	8.321	8	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	3:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N[6]-3:N-4:H-1:H-1:	N(BN[6]HH)(CH3)3	C(NBCC)(H)3	B(N[6]C[6]2)(NC3)(H)2	N(BN[6]HH)(CH3)3	C(NBCC)(H)3	B(N[6]C[6]2)(NC3)(H)2	111.2573	3.455	3	111.2573	11.940	3	111.2573	11.940	3	110.2135	8.321	8	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	109.4270	1.055	2	109.4270	1.113	2	108.8995	0.536	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	108.3015	0.245	2	108.3015	0.060	2	108.8995	0.536	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	N(BN[6]HH)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(H)3	108.9700	0.475	2	108.9700	0.226	2	108.8995	0.536	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:Br-1:Br-1:H-1:	N(BBr2H)(CH3)3	C(NBCC)(H)3	B(NC3)(Br)2(H)	N(BBr2H)(CH3)3	C(NBCC)(H)3	B(NC3)(Br)2(H)	112.4105	5.699	2	112.4105	32.474	2	112.4105	32.474	2	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(BH3)(CH3)3	C(NBCC)(H)3	B(NC3)(H)3	N(BH3)(CH3)3	C(NBCC)(H)3	B(NC3)(H)3	110.4925	0.008	2	110.4925	0.000	2	110.4925	0.000	2	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	N(CC[5]CH)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	108.3005	2.040	2	108.3005	4.162	2	109.4095	2.379	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	N(CC[6]HH)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	109.7455	1.930	2	109.7455	3.724	2	109.4095	2.379	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	N(CHHN)(BH3)(CH3)2	C(NBCC)(H)3	B(NC3)(H)3	110.1825	0.361	2	110.1825	0.131	2	109.4095	2.379	6	109.7288	4.489	16	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:2:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:O-2:H-1:H-1:	N(BHHO)(CH3)3	C(NBCC)(H)3	B(NC3)(OC)(H)2	N(BHHO)(CH3)3	C(NBCC)(H)3	B(NC3)(OC)(H)2	110.2960	2.615	3	110.2960	6.838	3	110.1585	3.639	6	110.2699	3.313	9	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:2:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:O-2:H-1:H-1:	N(BHHO)(CH3)3	C(NBCC)(H)3	B(NC3)(OS)(H)2	N(BHHO)(CH3)3	C(NBCC)(H)3	B(NC3)(OS)(H)2	110.0210	1.484	3	110.0210	2.203	3	110.1585	3.639	6	110.2699	3.313	9	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:2:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:S-2:H-1:H-1:	N(BHHS)(CH3)3	C(NBCC)(H)3	B(NC3)(SC)(H)2	N(BHHS)(CH3)3	C(NBCC)(H)3	B(NC3)(SC)(H)2	110.4927	2.010	3	110.4927	4.042	3	110.4927	4.042	3	110.2699	3.313	9	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(NCCH)(H)2	N(BHHN)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(NCCH)(H)2	109.1930	5.951	2	109.1930	35.415	2	109.1930	35.415	2	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:B-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:P-4:H-1:H-1:	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(PC3)(H)2	N(BHHP)(BH3)(CH3)2	C(NBBC)(H)3	B(NBCC)(PC3)(H)2	109.2160	2.669	2	109.2160	7.122	2	109.2160	7.122	2	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	As-4:N-4:H-1:H-1:	N(BAsHH)(CH3)3	C(NBCC)(H)3	B(AsCl2W)(NC3)(H)2	N(BAsHH)(CH3)3	C(NBCC)(H)3	B(AsCl2W)(NC3)(H)2	110.6015	2.869	6	110.6015	8.229	6	110.6015	8.229	6	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BCHH)(CCHH)(CH3)2	C(NBCC)(H)3	B(CSiBH)(NC3)(H)2	N(BCHH)(CCHH)(CH3)2	C(NBCC)(H)3	B(CSiBH)(NC3)(H)2	109.2345	2.044	4	109.2345	4.179	4	110.1577	3.985	10	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BCHH)(CH3)3	C(NBCC)(H)3	B(CCHH)(NC3)(H)2	N(BCHH)(CH3)3	C(NBCC)(H)3	B(CCHH)(NC3)(H)2	110.7263	1.788	3	110.7263	3.196	3	110.1577	3.985	10	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BCHH)(CH3)3	C(NBCC)(H)3	B(CC[5a]C[6a]H)(NC3)(H)2	N(BCHH)(CH3)3	C(NBCC)(H)3	B(CC[5a]C[6a]H)(NC3)(H)2	110.8200	2.371	3	110.8200	5.622	3	110.1577	3.985	10	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(H)3	B(C[5]C[5]2Mn)(NC3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(H)3	B(C[5]C[5]2Mn)(NC3)(H)2	109.1705	2.381	2	109.1705	5.668	2	109.1705	5.668	2	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	N(BC[6]HH)(CH3)3	C(NBCC)(H)3	B(C[6]N[6]2H)(NC3)(H)2	N(BC[6]HH)(CH3)3	C(NBCC)(H)3	B(C[6]N[6]2H)(NC3)(H)2	110.4090	3.799	3	110.4090	14.435	3	110.4090	14.435	3	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CH3)3	C(NBCC)(H)3	B(NBHH)(NC3)(H)2	N(BHHN)(CH3)3	C(NBCC)(H)3	B(NBHH)(NC3)(H)2	110.4267	2.463	3	110.4267	6.064	3	110.4267	6.064	3	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PBr2W)(NC3)(H)2	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PBr2W)(NC3)(H)2	110.7373	4.294	3	110.7373	18.438	3	110.6619	9.852	24	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PC[6a]2Ag)(NC3)(H)2	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PC[6a]2Ag)(NC3)(H)2	110.5814	2.751	9	110.5814	7.570	9	110.6619	9.852	24	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PC[6a]3)(NC3)(H)2	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PC[6a]3)(NC3)(H)2	110.3520	4.051	3	110.3520	16.409	3	110.6619	9.852	24	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	P-4:N-4:H-1:H-1:	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PCl2W)(NC3)(H)2	N(BHHP)(CH3)3	C(NBCC)(H)3	B(PCl2W)(NC3)(H)2	110.8206	3.460	9	110.8206	11.969	9	110.6619	9.852	24	110.3603	7.921	52	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:1:1:1:	4:4:2:1:	B-4:C-4:C-4:C-4:	N-4:H-1:H-1:H-1:	C-4:N-4:C-2:H-1:	N(BCCH)(CH3)3	C(NBCC)(H)3	B(CC[6a]HH)(NC3)(CN)(H)	N(BCCH)(CH3)3	C(NBCC)(H)3	B(CC[6a]HH)(NC3)(CN)(H)	110.5953	1.173	3	110.5953	1.375	3	110.5953	1.375	3	110.5953	1.375	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:3:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	N-4:N-3:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CHHN)(BH3)(CH3)2	C(NBCC)(NCC)(H)2	B(NC3)(H)3	N(CHHN)(BH3)(CH3)2	C(NBCC)(NCC)(H)2	B(NC3)(H)3	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:Cl-1:H-1:H-1:	N(BClHH)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(Cl)(H)2	N(BClHH)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(Cl)(H)2	109.8163	3.684	3	109.8163	13.575	3	109.8163	13.575	3	110.0209	5.672	7	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CC[6]HH)(BH3)(CH3)2	C(C[6]C[6]2Cr)(NBCC)(H)2	B(NC3)(H)3	N(CC[6]HH)(BH3)(CH3)2	C(C[6]C[6]2Cr)(NBCC)(H)2	B(NC3)(H)3	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	110.0209	5.672	7	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:B-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(BH3)	C(CCHH)(NBCC)(H)2	B(NC3)(H)3	N(CCHH)3(BH3)	C(CCHH)(NBCC)(H)2	B(NC3)(H)3	108.0990	0.000	1	108.0990	0.000	1	109.6907	1.928	3	110.0209	5.672	7	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:1:1:1:	C-4:C-4:C-4:B-4:	C-4:N-4:H-1:H-1:	N-4:H-1:H-1:H-1:	N(CCHH)3(BH3)	C(CHHS)(NBCC)(H)2	B(NC3)(H)3	N(CCHH)3(BH3)	C(CHHS)(NBCC)(H)2	B(NC3)(H)3	110.4865	0.237	2	110.4865	0.056	2	109.6907	1.928	3	110.0209	5.672	7	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:2:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:O-2:H-1:H-1:	N(BHHO)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(OB)(H)2	N(BHHO)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(OB)(H)2	109.4880	1.515	3	109.4880	2.294	3	109.4880	2.294	3	109.4880	2.294	3	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	C-4:N-4:H-1:H-1:	N(BCHH)(CCHH)(CH3)2	C(CHHN)(NBCC)(H)2	B(CSiBH)(NC3)(H)2	N(BCHH)(CCHH)(CH3)2	C(CHHN)(NBCC)(H)2	B(CSiBH)(NC3)(H)2	112.6945	0.456	2	112.6945	0.208	2	112.6945	0.208	2	110.6967	18.259	15	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	C-4:N-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCHH)3	C(CCHH)(NBCC)(H)2	B(NBHH)(NC3)(H)2	N(BHHN)(CCHH)3	C(CCHH)(NBCC)(H)2	B(NBHH)(NC3)(H)2	110.1310	4.084	3	110.1310	16.675	3	110.1310	16.675	3	110.6967	18.259	15	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	C[5]-4:N-4:H-1:H-1:	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(CH3)(H)2	B(C[5]C[5]2Mn)(NC3)(H)2	N(BC[5]HH)(CCHH)(CH3)2	C(NBCC)(CH3)(H)2	B(C[5]C[5]2Mn)(NC3)(H)2	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	110.6967	18.259	15	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(NH3)(H)2	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)(NH3)(H)2	110.0837	3.588	3	110.0837	12.873	3	110.5433	26.508	9	110.6967	18.259	15	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:1:1:	4:4:1:1:	B-4:C-4:C-4:C-4:	N-4:C-4:H-1:H-1:	N-4:N-4:H-1:H-1:	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)2(H)2	N(BHHN)(CCHH)3	C(NBCC)(CH3)(H)2	B(NC3)2(H)2	110.7732	6.089	6	110.7732	37.074	6	110.5433	26.508	9	110.6967	18.259	15	111.7773	11.598	220	111.7773	11.598	220
892	490	610	0:SP3_SP3_SP3	N	C	B	4:4:4:4:	4:4:4:1:	4:1:1:1:	C-4:B-4:C-4:C-4:	C[5]-4:C-4:N-4:H-1:	N-4:H-1:H-1:H-1:	N(CC[5]CH)(BH3)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	B(NC3)(H)3	N(CC[5]CH)(BH3)(CH3)2	C(C[5]C[5]2Fe)(CCHH)(NBCC)(H)	B(NC3)(H)3	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	111.7773	11.598	220	111.7773	11.598	220